CID 871285

N-benzhydryl-n'-(2-pyridylcarbonyl)urea

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C20H17N3O2/c24-19(17-13-7-8-14-21-17)23-20(25)22-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18H,(H2,22,23,24,25)
InChIKey
VGRFFFIIBURSEZ-UHFFFAOYSA-N
Compound name
N-(benzhydrylcarbamoyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.139356 177.4
[M+Na]+ 354.121298 180.4
[M-H]- 330.124804 184.9
[M+NH4]+ 349.165903 187.6
[M+K]+ 370.095238 175.9
[M+H-H2O]+ 314.129340 166.7
[M+HCOO]- 376.130281 199.5
[M+CH3COO]- 390.145931 211.8
[M+Na-2H]- 352.106746 182.5
[M]+ 331.13153142 174.2
[M]- 331.13262858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.