CID 1284234

22278-81-5

Structural Information

Molecular Formula
C4H6N4OS
SMILES
CC1=NNC(=S)N(C1=O)N
InChI
InChI=1S/C4H6N4OS/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKey
BRTAAZXLXLRRFH-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

158.02623 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03351 130.1
[M+Na]+ 181.01545 142.3
[M+NH4]+ 176.06005 136.7
[M+K]+ 196.98939 135.8
[M-H]- 157.01895 129.9
[M+Na-2H]- 179.00090 134.7
[M]+ 158.02568 131.9
[M]- 158.02678 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe