CID 805393

2-((4,6-dimethylpyrimidin-2-yl)thio)-n-(o-tolyl)acetamide

Structural Information

Molecular Formula
C15H17N3OS
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C)C
InChI
InChI=1S/C15H17N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-16-11(2)8-12(3)17-15/h4-8H,9H2,1-3H3,(H,18,19)
InChIKey
YHOSRIARZIXXKR-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 166.4
[M+Na]+ 310.09844 180.2
[M+NH4]+ 305.14304 174.1
[M+K]+ 326.07238 170.9
[M-H]- 286.10194 170.4
[M+Na-2H]- 308.08389 174.3
[M]+ 287.10867 170.0
[M]- 287.10977 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.