CID 381398

Nsc667942

Structural Information

Molecular Formula
C6H12N4OS
SMILES
CN1C(C(N=C1SC)C(=O)N)N
InChI
InChI=1S/C6H12N4OS/c1-10-4(7)3(5(8)11)9-6(10)12-2/h3-4H,7H2,1-2H3,(H2,8,11)
InChIKey
DRKDLJXEVBDUMO-UHFFFAOYSA-N
Compound name
5-amino-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07318 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08046 140.0
[M+Na]+ 211.06240 148.9
[M-H]- 187.06590 140.9
[M+NH4]+ 206.10700 158.9
[M+K]+ 227.03634 146.4
[M+H-H2O]+ 171.07044 133.4
[M+HCOO]- 233.07138 156.9
[M+CH3COO]- 247.08703 185.3
[M+Na-2H]- 209.04785 138.6
[M]+ 188.07263 139.0
[M]- 188.07373 139.0
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.