CID 6866423

60458-57-3

Structural Information

Molecular Formula
C15H16N4OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC=CC=C2)C
InChI
InChI=1S/C15H16N4OS/c1-11-8-12(2)18-15(17-11)21-10-14(20)19-16-9-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)/b16-9+
InChIKey
OXOSOESPSBUVIL-CXUHLZMHSA-N
Compound name
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11178 168.6
[M+Na]+ 323.09372 181.4
[M+NH4]+ 318.13832 175.8
[M+K]+ 339.06766 171.9
[M-H]- 299.09722 173.1
[M+Na-2H]- 321.07917 177.0
[M]+ 300.10395 172.0
[M]- 300.10505 172.0
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.