CID 53724

77694-44-1

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H19NO4/c1-20(2)12-16(19(24)25-20)21-18(23)15-11-7-6-10-14(15)17(22)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3,(H,21,23)
InChIKey
GHBZAYMQAWPNQV-UHFFFAOYSA-N
Compound name
2-benzoyl-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.138676 178.7
[M+Na]+ 360.120618 184.8
[M-H]- 336.124124 189.3
[M+NH4]+ 355.165223 193.8
[M+K]+ 376.094558 182.5
[M+H-H2O]+ 320.128660 171.1
[M+HCOO]- 382.129601 199.8
[M+CH3COO]- 396.145251 211.7
[M+Na-2H]- 358.106066 179.6
[M]+ 337.13085142 179.0
[M]- 337.13194858 179.0
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.