CID 1215343

2-[2-(4-methylbenzamido)benzamido]benzoic acid

Structural Information

Molecular Formula
C22H18N2O4
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C22H18N2O4/c1-14-10-12-15(13-11-14)20(25)23-18-8-4-2-6-16(18)21(26)24-19-9-5-3-7-17(19)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKey
WMCYTMPFDKDIIY-UHFFFAOYSA-N
Compound name
2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

374.12665 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 188.0
[M+Na]+ 397.11587 192.4
[M-H]- 373.11937 196.4
[M+NH4]+ 392.16047 197.7
[M+K]+ 413.08981 188.1
[M+H-H2O]+ 357.12391 178.2
[M+HCOO]- 419.12485 209.7
[M+CH3COO]- 433.14050 220.9
[M+Na-2H]- 395.10132 189.3
[M]+ 374.12610 186.7
[M]- 374.12720 186.7
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

patents stripe