CID 496457

Nsc689617

Structural Information

Molecular Formula
C23H22N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3C(NC3=O)C4=CC=CC=C4
InChI
InChI=1S/C23H22N2O/c26-23-22(21(24-23)20-14-8-3-9-15-20)25(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,24,26)
InChIKey
NCBPYFZKSGGZGP-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18050 180.4
[M+Na]+ 365.16244 183.8
[M-H]- 341.16594 190.1
[M+NH4]+ 360.20704 184.6
[M+K]+ 381.13638 181.0
[M+H-H2O]+ 325.17048 163.5
[M+HCOO]- 387.17142 200.0
[M+CH3COO]- 401.18707 189.2
[M+Na-2H]- 363.14789 183.5
[M]+ 342.17267 186.0
[M]- 342.17377 186.0
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

patents stripe