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 173.2
[M-H]- 285.11792 171.2
[M+NH4]+ 304.15902 179.6
[M+K]+ 325.08836 167.9
[M+H-H2O]+ 269.12246 156.3
[M+HCOO]- 331.12340 184.8
[M+CH3COO]- 345.13905 207.9
[M+Na-2H]- 307.09987 169.5
[M]+ 286.12465 168.2
[M]- 286.12575 168.2
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.