CID 5278794

Chembl372844

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCCNC(=O)C(CCC)N1C(CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C18H26N2O2/c1-3-5-12-19-18(22)15(9-4-2)20-16(13-17(20)21)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3,(H,19,22)
InChIKey
RABGEVKAQLPMBA-UHFFFAOYSA-N
Compound name
N-butyl-2-(2-oxo-4-phenylazetidin-1-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 177.6
[M+Na]+ 325.18865 180.0
[M-H]- 301.19215 181.5
[M+NH4]+ 320.23325 184.3
[M+K]+ 341.16259 180.0
[M+H-H2O]+ 285.19669 163.1
[M+HCOO]- 347.19763 195.6
[M+CH3COO]- 361.21328 212.2
[M+Na-2H]- 323.17410 176.7
[M]+ 302.19888 186.8
[M]- 302.19998 186.8
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.