CID 16460977

3-({1,3-dibenzyl-2-oxo-1h,2h,3h-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid

Structural Information

Molecular Formula
C24H22N4O4
SMILES
C1=CC=C(C=C1)CN2C3=C(N=C(C=C3)NC(=O)CCC(=O)O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H22N4O4/c29-21(13-14-22(30)31)25-20-12-11-19-23(26-20)28(16-18-9-5-2-6-10-18)24(32)27(19)15-17-7-3-1-4-8-17/h1-12H,13-16H2,(H,30,31)(H,25,26,29)
InChIKey
ZCYUXYDYUYVRJM-UHFFFAOYSA-N
Compound name
4-[(1,3-dibenzyl-2-oxoimidazo[4,5-b]pyridin-5-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1641 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17138 201.9
[M+Na]+ 453.15332 209.0
[M-H]- 429.15682 208.1
[M+NH4]+ 448.19792 208.5
[M+K]+ 469.12726 202.4
[M+H-H2O]+ 413.16136 190.3
[M+HCOO]- 475.16230 220.6
[M+CH3COO]- 489.17795 227.9
[M+Na-2H]- 451.13877 203.8
[M]+ 430.16355 205.2
[M]- 430.16465 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.