CID 3059908

77444-67-8

Structural Information

Molecular Formula
C9H7N3O3S
SMILES
C1=CSC(=C1)C(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C9H7N3O3S/c10-7(13)6-8(12-4-11-6)15-9(14)5-2-1-3-16-5/h1-4H,(H2,10,13)(H,11,12)
InChIKey
OLHYVQKDBKKDOG-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02081 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02809 149.3
[M+Na]+ 260.01003 158.8
[M-H]- 236.01353 153.5
[M+NH4]+ 255.05463 167.1
[M+K]+ 275.98397 155.9
[M+H-H2O]+ 220.01807 142.4
[M+HCOO]- 282.01901 168.7
[M+CH3COO]- 296.03466 184.6
[M+Na-2H]- 257.99548 149.1
[M]+ 237.02026 151.6
[M]- 237.02136 151.6
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.