CID 199929

1,3,5-triazin-2-amine, 4-methoxy-6-(2-(phenylthio)ethyl)-

Structural Information

Molecular Formula
C12H14N4OS
SMILES
COC1=NC(=NC(=N1)N)CCSC2=CC=CC=C2
InChI
InChI=1S/C12H14N4OS/c1-17-12-15-10(14-11(13)16-12)7-8-18-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)
InChIKey
DEGDGXZHARAIHB-UHFFFAOYSA-N
Compound name
4-methoxy-6-(2-phenylsulfanylethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08884 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.096116 157.2
[M+Na]+ 285.078058 166.2
[M-H]- 261.081564 159.8
[M+NH4]+ 280.122663 170.0
[M+K]+ 301.051998 160.9
[M+H-H2O]+ 245.086100 148.0
[M+HCOO]- 307.087041 173.9
[M+CH3COO]- 321.102691 196.4
[M+Na-2H]- 283.063506 161.5
[M]+ 262.08829142 159.6
[M]- 262.08938858 159.6
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.