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]+ 324.14548 175.3
[M+Na]+ 346.12742 184.1
[M-H]- 322.13092 179.4
[M+NH4]+ 341.17202 187.5
[M+K]+ 362.10136 178.3
[M+H-H2O]+ 306.13546 165.1
[M+HCOO]- 368.13640 197.9
[M+CH3COO]- 382.15205 210.8
[M+Na-2H]- 344.11287 180.1
[M]+ 323.13765 177.3
[M]- 323.13875 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.