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 168.7
[M+Na]+ 316.09777 173.8
[M-H]- 292.10127 172.0
[M+NH4]+ 311.14237 184.2
[M+K]+ 332.07171 171.1
[M+H-H2O]+ 276.10581 162.1
[M+HCOO]- 338.10675 183.5
[M+CH3COO]- 352.12240 203.5
[M+Na-2H]- 314.08322 168.1
[M]+ 293.10800 172.1
[M]- 293.10910 172.1
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.