CID 5278780

Chembl372176

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCCCNC(=O)C(CC1=CC=CC=C1)N2C(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-2-3-14-23-22(26)20(15-17-10-6-4-7-11-17)24-19(16-21(24)25)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3,(H,23,26)
InChIKey
BEOATIXNXFYMJU-UHFFFAOYSA-N
Compound name
N-butyl-2-(2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.6
[M+Na]+ 373.18865 189.6
[M-H]- 349.19215 194.2
[M+NH4]+ 368.23325 191.8
[M+K]+ 389.16259 188.2
[M+H-H2O]+ 333.19669 171.4
[M+HCOO]- 395.19763 205.6
[M+CH3COO]- 409.21328 219.7
[M+Na-2H]- 371.17410 187.2
[M]+ 350.19888 195.5
[M]- 350.19998 195.5
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.