PubChemLite - Nsc292651 (C28H37ClN4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)/C=C/C3=CC=C(C=C3)Cl)N(C)C

InChI

InChI=1S/C28H37ClN4/c1-6-33(7-2)18-8-9-21(3)30-27-19-24(15-12-22-10-13-23(29)14-11-22)31-28-20-25(32(4)5)16-17-26(27)28/h10-17,19-21H,6-9,18H2,1-5H3,(H,30,31)/b15-12+

InChIKey

IHVLNHIQZZXWLC-NTCAYCPXSA-N

Compound name

2-[(E)-2-(4-chlorophenyl)ethenyl]-4-N-[5-(diethylamino)pentan-2-yl]-7-N,7-N-dimethylquinoline-4,7-diamine

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]+	465.27794	222.2
[M+Na]+	487.25988	226.0
[M-H]-	463.26338	229.3
[M+NH4]+	482.30448	231.5
[M+K]+	503.23382	219.2
[M+H-H2O]+	447.26792	211.0
[M+HCOO]-	509.26886	238.6
[M+CH3COO]-	523.28451	252.5
[M+Na-2H]-	485.24533	221.1
[M]+	464.27011	228.2
[M]-	464.27121	228.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.27794

222.2

[M+Na]+

487.25988

226.0

[M-H]-

463.26338

229.3

[M+NH4]+

482.30448

231.5

[M+K]+

503.23382

219.2

[M+H-H2O]+

447.26792

211.0

[M+HCOO]-

509.26886

238.6

[M+CH3COO]-

523.28451

252.5

[M+Na-2H]-

485.24533

221.1

[M]+

464.27011

228.2

[M]-

464.27121

228.2

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

Nsc292651

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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