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 134.0
[M+Na]+ 193.01545 141.7
[M+NH4]+ 188.06005 140.3
[M+K]+ 208.98939 138.1
[M-H]- 169.01895 133.6
[M+Na-2H]- 191.00090 137.0
[M]+ 170.02568 134.8
[M]- 170.02678 134.8
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