CID 5287979

5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide

Structural Information

Molecular Formula
C24H23N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)N(C)C)C3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)
InChIKey
DOPFUKKMSDUVTQ-UHFFFAOYSA-N
Compound name
3-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethyl-5-[(4-methylbenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

417.16885 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 201.0
[M+Na]+ 440.15807 204.6
[M-H]- 416.16157 210.7
[M+NH4]+ 435.20267 209.5
[M+K]+ 456.13201 201.8
[M+H-H2O]+ 400.16611 190.5
[M+HCOO]- 462.16705 223.5
[M+CH3COO]- 476.18270 235.9
[M+Na-2H]- 438.14352 200.3
[M]+ 417.16830 201.2
[M]- 417.16940 201.2
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

patents stripe