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]+ 398.14992 192.1
[M+Na]+ 420.13186 195.9
[M-H]- 396.13536 199.3
[M+NH4]+ 415.17646 199.9
[M+K]+ 436.10580 189.8
[M+H-H2O]+ 380.13990 181.1
[M+HCOO]- 442.14084 211.1
[M+CH3COO]- 456.15649 199.8
[M+Na-2H]- 418.11731 196.7
[M]+ 397.14209 188.7
[M]- 397.14319 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.