CID 129318466

93596-91-9

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]+ 311.139016 174.1
[M+Na]+ 333.120958 176.9
[M-H]- 309.124464 180.0
[M+NH4]+ 328.165563 187.1
[M+K]+ 349.094898 174.3
[M+H-H2O]+ 293.129000 165.3
[M+HCOO]- 355.129941 196.4
[M+CH3COO]- 369.145591 208.6
[M+Na-2H]- 331.106406 176.0
[M]+ 310.13119142 172.5
[M]- 310.13228858 172.5
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.