CID 5270469

Schembl13327596

Structural Information

Molecular Formula
C16H17N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C16H17N5O3/c1-3-24-16(22)20-12-8-11-13(14(17)19-12)21-15(18-11)9-4-6-10(23-2)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)(H3,17,19,20,22)
InChIKey
ZJMMVAMBSLEAEL-UHFFFAOYSA-N
Compound name
ethyl N-[4-amino-2-(4-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.13315 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14043 174.5
[M+Na]+ 350.12237 183.6
[M-H]- 326.12587 178.0
[M+NH4]+ 345.16697 186.1
[M+K]+ 366.09631 178.7
[M+H-H2O]+ 310.13041 165.0
[M+HCOO]- 372.13135 196.0
[M+CH3COO]- 386.14700 210.5
[M+Na-2H]- 348.10782 179.0
[M]+ 327.13260 177.1
[M]- 327.13370 177.1
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

patents stripe