CID 5277390

Ethyl n-[4-amino-1-[(z)-styryl]imidazo[4,5-c]pyridin-6-yl]carbamate

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N(C=N2)/C=C\C3=CC=CC=C3)N
InChI
InChI=1S/C17H17N5O2/c1-2-24-17(23)21-14-10-13-15(16(18)20-14)19-11-22(13)9-8-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H3,18,20,21,23)/b9-8-
InChIKey
XOAJMRHIXAUXEU-HJWRWDBZSA-N
Compound name
ethyl N-[4-amino-1-[(Z)-2-phenylethenyl]imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 175.3
[M+Na]+ 346.127418 184.1
[M-H]- 322.130924 179.4
[M+NH4]+ 341.172023 187.5
[M+K]+ 362.101358 178.3
[M+H-H2O]+ 306.135460 165.1
[M+HCOO]- 368.136401 197.9
[M+CH3COO]- 382.152051 210.8
[M+Na-2H]- 344.112866 180.1
[M]+ 323.13765142 177.3
[M]- 323.13874858 177.3
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.