CID 709274

N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C15H17N3OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)C
InChI
InChI=1S/C15H17N3OS/c1-11-8-12(2)18-15(17-11)20-10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKey
PBMFOOJCZLNUQC-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 165.6
[M+Na]+ 310.09844 173.2
[M-H]- 286.10194 169.7
[M+NH4]+ 305.14304 178.9
[M+K]+ 326.07238 167.8
[M+H-H2O]+ 270.10648 156.5
[M+HCOO]- 332.10742 182.3
[M+CH3COO]- 346.12307 202.5
[M+Na-2H]- 308.08389 168.2
[M]+ 287.10867 168.2
[M]- 287.10977 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.