CID 2730216

Maybridge3_005440

Structural Information

Molecular Formula
C10H11N5S
SMILES
CSC1=CC=CC=C1NC2=NC=NC(=N2)N
InChI
InChI=1S/C10H11N5S/c1-16-8-5-3-2-4-7(8)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15)
InChIKey
HMSMGQJBLLBXRX-UHFFFAOYSA-N
Compound name
2-N-(2-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

233.07352 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.080796 148.5
[M+Na]+ 256.062738 157.8
[M-H]- 232.066244 151.4
[M+NH4]+ 251.107343 162.3
[M+K]+ 272.036678 152.1
[M+H-H2O]+ 216.070780 139.6
[M+HCOO]- 278.071721 166.6
[M+CH3COO]- 292.087371 160.1
[M+Na-2H]- 254.048186 154.5
[M]+ 233.07297142 148.2
[M]- 233.07406858 148.2
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

No patent data available for this compound.