CID 2852967

N-benzhydryl-n'-(4-pyridylcarbonyl)urea

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H17N3O2/c24-19(17-11-13-21-14-12-17)23-20(25)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H,(H2,22,23,24,25)
InChIKey
WDJRKRUIMLIVHD-UHFFFAOYSA-N
Compound name
N-(benzhydrylcarbamoyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 177.4
[M+Na]+ 354.12130 180.4
[M-H]- 330.12480 184.9
[M+NH4]+ 349.16590 187.6
[M+K]+ 370.09524 175.9
[M+H-H2O]+ 314.12934 166.7
[M+HCOO]- 376.13028 199.5
[M+CH3COO]- 390.14593 211.8
[M+Na-2H]- 352.10675 182.5
[M]+ 331.13153 174.2
[M]- 331.13263 174.2
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.