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 184.6
[M+Na]+ 382.10497 189.4
[M-H]- 358.10847 194.0
[M+NH4]+ 377.14957 195.6
[M+K]+ 398.07891 185.7
[M+H-H2O]+ 342.11301 174.6
[M+HCOO]- 404.11395 206.8
[M+CH3COO]- 418.12960 216.5
[M+Na-2H]- 380.09042 186.3
[M]+ 359.11520 185.2
[M]- 359.11630 185.2
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.