CID 9588903

154496-67-0

Structural Information

Molecular Formula
C15H18N4S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C15H18N4S/c1-11(2)20-15-17-12(3)9-14(18-15)19-16-10-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,17,18,19)/b16-10+
InChIKey
VOQBIOCAYWRAMG-MHWRWJLKSA-N
Compound name
N-[(E)-benzylideneamino]-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13248 165.8
[M+Na]+ 309.11442 179.0
[M+NH4]+ 304.15902 173.9
[M+K]+ 325.08836 169.2
[M-H]- 285.11792 171.0
[M+Na-2H]- 307.09987 174.8
[M]+ 286.12465 169.6
[M]- 286.12575 169.6
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.