CID 3660608

303091-11-4

Structural Information

Molecular Formula
C15H16FN3OS
SMILES
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC(=CC(=N2)C)C
InChI
InChI=1S/C15H16FN3OS/c1-9-4-5-12(16)7-13(9)19-14(20)8-21-15-17-10(2)6-11(3)18-15/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey
FWWYONRBRMCIFQ-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09982 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10710 168.4
[M+Na]+ 328.08904 177.7
[M-H]- 304.09254 171.8
[M+NH4]+ 323.13364 181.5
[M+K]+ 344.06298 171.9
[M+H-H2O]+ 288.09708 158.8
[M+HCOO]- 350.09802 183.9
[M+CH3COO]- 364.11367 207.6
[M+Na-2H]- 326.07449 169.0
[M]+ 305.09927 170.8
[M]- 305.10037 170.8
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.