CID 3044744

Brn 0534715

Structural Information

Molecular Formula
C12H14N4S
SMILES
CC1=NC(=NC(=N1)SCC2=CC=CC=C2)NC
InChI
InChI=1S/C12H14N4S/c1-9-14-11(13-2)16-12(15-9)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14,15,16)
InChIKey
NQYBYIJBNCZHIN-UHFFFAOYSA-N
Compound name
4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09392 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10120 153.9
[M+Na]+ 269.08314 168.6
[M+NH4]+ 264.12774 162.2
[M+K]+ 285.05708 158.8
[M-H]- 245.08664 158.1
[M+Na-2H]- 267.06859 163.2
[M]+ 246.09337 157.8
[M]- 246.09447 157.8
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.