CID 3005023

5-amino-2-mercapto-1-methyl-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C5H8N4OS
SMILES
CN1C(=C(NC1=S)C(=O)N)N
InChI
InChI=1S/C5H8N4OS/c1-9-3(6)2(4(7)10)8-5(9)11/h6H2,1H3,(H2,7,10)(H,8,11)
InChIKey
MPKNJHKYEJNMND-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.04189 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04917 134.1
[M+Na]+ 195.03111 144.2
[M-H]- 171.03461 134.2
[M+NH4]+ 190.07571 152.9
[M+K]+ 211.00505 140.1
[M+H-H2O]+ 155.03915 127.9
[M+HCOO]- 217.04009 151.4
[M+CH3COO]- 231.05574 179.4
[M+Na-2H]- 193.01656 133.6
[M]+ 172.04134 131.6
[M]- 172.04244 131.6
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