CID 11971258

94087-59-9

Structural Information

Molecular Formula
C5H8N4OS
SMILES
CNC1=NC(=O)NC(=S)N1C
InChI
InChI=1S/C5H8N4OS/c1-6-3-7-4(10)8-5(11)9(3)2/h1-2H3,(H2,6,7,8,10,11)
InChIKey
BYOYDHDHEZRAKM-UHFFFAOYSA-N
Compound name
5-methyl-4-(methylamino)-6-sulfanylidene-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.04189 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.049166 132.7
[M+Na]+ 195.031108 144.3
[M-H]- 171.034614 132.3
[M+NH4]+ 190.075713 149.4
[M+K]+ 211.005048 139.6
[M+H-H2O]+ 155.039150 126.0
[M+HCOO]- 217.040091 149.4
[M+CH3COO]- 231.055741 177.5
[M+Na-2H]- 193.016556 137.1
[M]+ 172.04134142 133.3
[M]- 172.04243858 133.3
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