CID 5270581

Schembl13327582

Structural Information

Molecular Formula
C15H15N5O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)N)N=CN2C3=CC=CC=C3
InChI
InChI=1S/C15H15N5O2/c1-2-22-15(21)19-12-8-11(16)13-14(18-12)20(9-17-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,16,18,19,21)
InChIKey
HJPCSDNEDBYSDJ-UHFFFAOYSA-N
Compound name
ethyl N-(7-amino-3-phenylimidazo[4,5-b]pyridin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.1226 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12988 166.7
[M+Na]+ 320.11182 176.1
[M-H]- 296.11532 171.2
[M+NH4]+ 315.15642 180.1
[M+K]+ 336.08576 171.4
[M+H-H2O]+ 280.11986 156.9
[M+HCOO]- 342.12080 189.9
[M+CH3COO]- 356.13645 178.1
[M+Na-2H]- 318.09727 172.7
[M]+ 297.12205 168.9
[M]- 297.12315 168.9
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

patents stripe