CID 131857

135070-05-2

Structural Information

Molecular Formula
C24H21N3O2
SMILES
CC1=C2C(=NC=C1)N(C(=N2)C3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O
InChI
InChI=1S/C24H21N3O2/c1-15-12-13-25-23-21(15)26-22(18-10-11-18)27(23)14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24(28)29/h2-9,12-13,18H,10-11,14H2,1H3,(H,28,29)
InChIKey
VWWMGPCUZVOLLK-UHFFFAOYSA-N
Compound name
2-[4-[(2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

386
Patents

383.1634 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17068 197.1
[M+Na]+ 406.15262 215.7
[M+NH4]+ 401.19722 205.0
[M+K]+ 422.12656 209.6
[M-H]- 382.15612 210.2
[M+Na-2H]- 404.13807 209.0
[M]+ 383.16285 204.8
[M]- 383.16395 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe