CID 21497

6-(methylthio)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C4H7N5S
SMILES
CSC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C4H7N5S/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
InChIKey
SFPNVVXUUHYBQW-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

111
Patents

157.04222 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04950 129.2
[M+Na]+ 180.03144 139.5
[M-H]- 156.03494 128.9
[M+NH4]+ 175.07604 146.2
[M+K]+ 196.00538 135.9
[M+H-H2O]+ 140.03948 121.9
[M+HCOO]- 202.04042 147.0
[M+CH3COO]- 216.05607 179.1
[M+Na-2H]- 178.01689 134.0
[M]+ 157.04167 128.2
[M]- 157.04277 128.2
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.