CID 3075357

178408-09-8

Structural Information

Molecular Formula
C15H19NO3S
SMILES
CC(C)(C)C(=O)CC(=O)NC(=S)C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H19NO3S/c1-15(2,3)12(17)9-13(18)16-14(20)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,16,18,20)
InChIKey
IGAWIDZFXQOOJL-UHFFFAOYSA-N
Compound name
N-(4-methoxybenzenecarbothioyl)-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10855 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11583 169.9
[M+Na]+ 316.09777 178.4
[M+NH4]+ 311.14237 175.8
[M+K]+ 332.07171 172.5
[M-H]- 292.10127 169.9
[M+Na-2H]- 314.08322 173.1
[M]+ 293.10800 171.3
[M]- 293.10910 171.3
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.