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]+ 158.049496 129.2
[M+Na]+ 180.031438 139.5
[M-H]- 156.034944 128.9
[M+NH4]+ 175.076043 146.2
[M+K]+ 196.005378 135.9
[M+H-H2O]+ 140.039480 121.9
[M+HCOO]- 202.040421 147.0
[M+CH3COO]- 216.056071 179.1
[M+Na-2H]- 178.016886 134.0
[M]+ 157.04167142 128.2
[M]- 157.04276858 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

literature stripe

Patent stripe

patents stripe