PubChemLite - Kw-3433 (C26H25N7)

Structural Information

Molecular Formula

SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)C5=CC=CC=C5C4CC6=NNN=N6)N=C(C=C2C)C

InChI

InChI=1S/C26H25N7/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)14-17-9-10-20-18-7-5-6-8-19(18)22(21(20)12-17)13-23-29-31-32-30-23/h5-12,22H,4,13-14H2,1-3H3,(H,29,30,31,32)

InChIKey

DYYWUYUUDYPWON-UHFFFAOYSA-N

Compound name

2-ethyl-5,7-dimethyl-3-[[9-(2H-tetrazol-5-ylmethyl)-9H-fluoren-2-yl]methyl]imidazo[4,5-b]pyridine

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]+	436.22441	210.3
[M+Na]+	458.20635	222.6
[M-H]-	434.20985	215.6
[M+NH4]+	453.25095	218.5
[M+K]+	474.18029	212.3
[M+H-H2O]+	418.21439	198.6
[M+HCOO]-	480.21533	223.6
[M+CH3COO]-	494.23098	218.2
[M+Na-2H]-	456.19180	206.8
[M]+	435.21658	215.3
[M]-	435.21768	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.22441

210.3

[M+Na]+

458.20635

222.6

[M-H]-

434.20985

215.6

[M+NH4]+

453.25095

218.5

[M+K]+

474.18029

212.3

[M+H-H2O]+

418.21439

198.6

[M+HCOO]-

480.21533

223.6

[M+CH3COO]-

494.23098

218.2

[M+Na-2H]-

456.19180

206.8

[M]+

435.21658

215.3

[M]-

435.21768

215.3

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

Kw-3433

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe