CID 419733

Schembl13328064

Structural Information

Molecular Formula
C12H15N5O4
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC=N2)NC(=O)OCC
InChI
InChI=1S/C12H15N5O4/c1-3-20-11(18)16-8-5-7-9(14-6-13-7)10(15-8)17-12(19)21-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)(H2,15,16,17,18,19)
InChIKey
CERSLHZLLANLLW-UHFFFAOYSA-N
Compound name
ethyl N-[4-(ethoxycarbonylamino)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.1124 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11968 163.5
[M+Na]+ 316.10162 171.2
[M-H]- 292.10512 163.7
[M+NH4]+ 311.14622 176.6
[M+K]+ 332.07556 168.8
[M+H-H2O]+ 276.10966 154.7
[M+HCOO]- 338.11060 185.0
[M+CH3COO]- 352.12625 201.6
[M+Na-2H]- 314.08707 169.0
[M]+ 293.11185 167.2
[M]- 293.11295 167.2
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.