CID 5270652

Schembl13327632

Structural Information

Molecular Formula
C22H21N5O3
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)N2
InChI
InChI=1S/C22H21N5O3/c1-2-30-22(29)25-17-13-16(19-20(24-17)27-21(28)26-19)23-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18H,2H2,1H3,(H4,23,24,25,26,27,28,29)
InChIKey
VZBJERBRLGDYNG-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzhydrylamino)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.16443 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17171 191.7
[M+Na]+ 426.15365 197.6
[M-H]- 402.15715 196.6
[M+NH4]+ 421.19825 198.5
[M+K]+ 442.12759 190.6
[M+H-H2O]+ 386.16169 180.7
[M+HCOO]- 448.16263 210.5
[M+CH3COO]- 462.17828 199.5
[M+Na-2H]- 424.13910 196.1
[M]+ 403.16388 191.1
[M]- 403.16498 191.1
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.