CID 35035

30358-18-0

Structural Information

Molecular Formula
C5H8N4OS
SMILES
COC1=NC(=NC(=N1)N)SC
InChI
InChI=1S/C5H8N4OS/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
InChIKey
JVXNIDYFWMDGTE-UHFFFAOYSA-N
Compound name
4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

172.04189 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.049166 132.8
[M+Na]+ 195.031108 143.4
[M-H]- 171.034614 132.9
[M+NH4]+ 190.075713 149.8
[M+K]+ 211.005048 140.6
[M+H-H2O]+ 155.039150 125.5
[M+HCOO]- 217.040091 150.1
[M+CH3COO]- 231.055741 179.8
[M+Na-2H]- 193.016556 137.6
[M]+ 172.04134142 135.3
[M]- 172.04243858 135.3
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