PubChemLite - 2-naphthalenecarboximidamide, 6-[(2r)-2-[1-(cyclohexylmethyl)-3,4-dihydro-7-isoquinolinyl]cyclopropyl]- (C30H33N3)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)CC2=NCCC3=C2C=C(C=C3)[C@@H]4CC4C5=CC6=C(C=C5)C=C(C=C6)C(=N)N

InChI

InChI=1S/C30H33N3/c31-30(32)25-11-8-21-15-23(10-7-22(21)16-25)26-18-27(26)24-9-6-20-12-13-33-29(28(20)17-24)14-19-4-2-1-3-5-19/h6-11,15-17,19,26-27H,1-5,12-14,18H2,(H3,31,32)/t26?,27-/m0/s1

InChIKey

ANGXFKJTQWAXBD-GEVKEYJPSA-N

Compound name

6-[(2R)-2-[1-(cyclohexylmethyl)-3,4-dihydroisoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	436.27474	200.1
[M+Na]+	458.25668	204.0
[M-H]-	434.26018	210.0
[M+NH4]+	453.30128	203.8
[M+K]+	474.23062	195.4
[M+H-H2O]+	418.26472	188.8
[M+HCOO]-	480.26566	213.8
[M+CH3COO]-	494.28131	206.0
[M+Na-2H]-	456.24213	200.4
[M]+	435.26691	193.5
[M]-	435.26801	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.27474

200.1

[M+Na]+

458.25668

204.0

[M-H]-

434.26018

210.0

[M+NH4]+

453.30128

203.8

[M+K]+

474.23062

195.4

[M+H-H2O]+

418.26472

188.8

[M+HCOO]-

480.26566

213.8

[M+CH3COO]-

494.28131

206.0

[M+Na-2H]-

456.24213

200.4

[M]+

435.26691

193.5

[M]-

435.26801

193.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-naphthalenecarboximidamide, 6-[(2r)-2-[1-(cyclohexylmethyl)-3,4-dihydro-7-isoquinolinyl]cyclopropyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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