CID 5395640

60458-66-4

Structural Information

Molecular Formula
C16H18N4OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)N/N=C(\C)/C2=CC=CC=C2)C
InChI
InChI=1S/C16H18N4OS/c1-11-9-12(2)18-16(17-11)22-10-15(21)20-19-13(3)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,20,21)/b19-13+
InChIKey
PRKZDDNRBSFVIE-CPNJWEJPSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-1-phenylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12740 173.5
[M+Na]+ 337.10934 180.1
[M-H]- 313.11284 178.8
[M+NH4]+ 332.15394 185.9
[M+K]+ 353.08328 175.2
[M+H-H2O]+ 297.11738 163.7
[M+HCOO]- 359.11832 191.4
[M+CH3COO]- 373.13397 212.4
[M+Na-2H]- 335.09479 175.7
[M]+ 314.11957 176.2
[M]- 314.12067 176.2
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.