PubChemLite - 73953-98-7 (C25H31N3O2)

Structural Information

Molecular Formula

SMILES

C1CC2CC(CC1N2CC/C(=N/O)/N)OC3C4=CC=CC=C4CCC5=CC=CC=C35

InChI

InChI=1S/C25H31N3O2/c26-24(27-29)13-14-28-19-11-12-20(28)16-21(15-19)30-25-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)25/h1-8,19-21,25,29H,9-16H2,(H2,26,27)

InChIKey

HNTQDLBTCDZTGV-UHFFFAOYSA-N

Compound name

N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide

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]+	406.24892	196.6
[M+Na]+	428.23086	199.0
[M-H]-	404.23436	202.5
[M+NH4]+	423.27546	209.5
[M+K]+	444.20480	196.2
[M+H-H2O]+	388.23890	188.8
[M+HCOO]-	450.23984	209.3
[M+CH3COO]-	464.25549	203.3
[M+Na-2H]-	426.21631	197.3
[M]+	405.24109	189.9
[M]-	405.24219	189.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.24892

196.6

[M+Na]+

428.23086

199.0

[M-H]-

404.23436

202.5

[M+NH4]+

423.27546

209.5

[M+K]+

444.20480

196.2

[M+H-H2O]+

388.23890

188.8

[M+HCOO]-

450.23984

209.3

[M+CH3COO]-

464.25549

203.3

[M+Na-2H]-

426.21631

197.3

[M]+

405.24109

189.9

[M]-

405.24219

189.9

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

73953-98-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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