CID 129318466

N-benzoyl-n'-(2-phenyl)butanoylurea

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18N2O3/c1-2-15(13-9-5-3-6-10-13)17(22)20-18(23)19-16(21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H2,19,20,21,22,23)
InChIKey
KUOOLRNIWBGZBL-UHFFFAOYSA-N
Compound name
N-(2-phenylbutanoylcarbamoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 174.3
[M+Na]+ 333.12096 184.1
[M+NH4]+ 328.16556 180.1
[M+K]+ 349.09490 178.8
[M-H]- 309.12446 177.5
[M+Na-2H]- 331.10641 181.1
[M]+ 310.13119 176.2
[M]- 310.13229 176.2
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.