CID 5270472

Schembl13327664

Structural Information

Molecular Formula
C15H15N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)O)N
InChI
InChI=1S/C15H15N5O3/c1-2-23-15(22)19-11-7-10-12(13(16)18-11)20-14(17-10)8-3-5-9(21)6-4-8/h3-7,21H,2H2,1H3,(H,17,20)(H3,16,18,19,22)
InChIKey
CCETXWMDIAQEMP-UHFFFAOYSA-N
Compound name
ethyl N-[4-amino-2-(4-hydroxyphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

313.1175 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12478 170.1
[M+Na]+ 336.10672 179.2
[M-H]- 312.11022 172.4
[M+NH4]+ 331.15132 181.6
[M+K]+ 352.08066 173.7
[M+H-H2O]+ 296.11476 161.0
[M+HCOO]- 358.11570 190.4
[M+CH3COO]- 372.13135 180.3
[M+Na-2H]- 334.09217 174.6
[M]+ 313.11695 170.5
[M]- 313.11805 170.5
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