CID 210235

21190-08-9

Structural Information

Molecular Formula
C8H10ClN3O3
SMILES
CCOC(=O)C1=C(N=CN1)NC(=O)CCl
InChI
InChI=1S/C8H10ClN3O3/c1-2-15-8(14)6-7(11-4-10-6)12-5(13)3-9/h4H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKey
VJVPERKPYPTWQN-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-chloroacetyl)amino]-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04106 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04834 147.7
[M+Na]+ 254.03028 155.6
[M-H]- 230.03378 147.5
[M+NH4]+ 249.07488 164.5
[M+K]+ 270.00422 152.5
[M+H-H2O]+ 214.03832 140.9
[M+HCOO]- 276.03926 164.7
[M+CH3COO]- 290.05491 185.8
[M+Na-2H]- 252.01573 150.4
[M]+ 231.04051 149.9
[M]- 231.04161 149.9
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

No patent data available for this compound.