CID 135399216

325994-27-2

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=O)N2)C)C
InChI
InChI=1S/C15H17N3O2S/c1-9-4-5-12(10(2)6-9)17-14(20)8-21-15-16-11(3)7-13(19)18-15/h4-7H,8H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKey
MJPDNOFTNZLFTN-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

303.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 169.1
[M+Na]+ 326.09338 178.0
[M-H]- 302.09688 172.6
[M+NH4]+ 321.13798 181.5
[M+K]+ 342.06732 171.8
[M+H-H2O]+ 286.10142 160.7
[M+HCOO]- 348.10236 184.6
[M+CH3COO]- 362.11801 204.0
[M+Na-2H]- 324.07883 170.0
[M]+ 303.10361 171.4
[M]- 303.10471 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.