CID 199929

Brn 0535487

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]+ 263.09612 157.2
[M+Na]+ 285.07806 166.2
[M-H]- 261.08156 159.8
[M+NH4]+ 280.12266 170.0
[M+K]+ 301.05200 160.9
[M+H-H2O]+ 245.08610 148.0
[M+HCOO]- 307.08704 173.9
[M+CH3COO]- 321.10269 196.4
[M+Na-2H]- 283.06351 161.5
[M]+ 262.08829 159.6
[M]- 262.08939 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.