CID 3032714

Brn 1568141

Structural Information

Molecular Formula
C5H6N4OS
SMILES
C1=NC(=C(N1)C(=S)N)NC=O
InChI
InChI=1S/C5H6N4OS/c6-4(11)3-5(9-2-10)8-1-7-3/h1-2H,(H2,6,11)(H,7,8)(H,9,10)
InChIKey
BGQSWMAMDACZHG-UHFFFAOYSA-N
Compound name
N-(5-carbamothioyl-1H-imidazol-4-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.02623 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03351 132.9
[M+Na]+ 193.01545 141.3
[M-H]- 169.01895 132.7
[M+NH4]+ 188.06005 151.4
[M+K]+ 208.98939 137.6
[M+H-H2O]+ 153.02349 126.0
[M+HCOO]- 215.02443 151.0
[M+CH3COO]- 229.04008 177.4
[M+Na-2H]- 191.00090 134.9
[M]+ 170.02568 130.6
[M]- 170.02678 130.6
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

patents stripe