CID 218725

41242-30-2

Structural Information

Molecular Formula
C22H17NO4
SMILES
CC(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H17NO4/c1-15(24)27-20-14-8-6-12-18(20)22(26)23-19-13-7-5-11-17(19)21(25)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChIKey
YYYSUJCCFLWMSS-UHFFFAOYSA-N
Compound name
[2-[(2-benzoylphenyl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11575 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12303 184.8
[M+Na]+ 382.10497 198.6
[M+NH4]+ 377.14957 191.3
[M+K]+ 398.07891 191.6
[M-H]- 358.10847 190.5
[M+Na-2H]- 380.09042 194.7
[M]+ 359.11520 188.3
[M]- 359.11630 188.3
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.