CID 3075061

N-benzhydryl-n'-((2-hydroxy-4-quinolyl)carbonyl)urea

Structural Information

Molecular Formula
C24H19N3O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CC(=O)NC4=CC=CC=C43
InChI
InChI=1S/C24H19N3O3/c28-21-15-19(18-13-7-8-14-20(18)25-21)23(29)27-24(30)26-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22H,(H,25,28)(H2,26,27,29,30)
InChIKey
DZVQAAOWAQGAHE-UHFFFAOYSA-N
Compound name
N-(benzhydrylcarbamoyl)-2-oxo-1H-quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.149916 192.1
[M+Na]+ 420.131858 195.9
[M-H]- 396.135364 199.3
[M+NH4]+ 415.176463 199.9
[M+K]+ 436.105798 189.8
[M+H-H2O]+ 380.139900 181.1
[M+HCOO]- 442.140841 211.1
[M+CH3COO]- 456.156491 199.8
[M+Na-2H]- 418.117306 196.7
[M]+ 397.14209142 188.7
[M]- 397.14318858 188.7
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.