CID 5387746

Nsc626661

Structural Information

Molecular Formula
C24H22N2O
SMILES
CN(C1C(N(C1=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O/c1-25(20-13-7-3-8-14-20)23-22(18-17-19-11-5-2-6-12-19)26(24(23)27)21-15-9-4-10-16-21/h2-18,22-23H,1H3/b18-17+
InChIKey
LDNPWLLXLIEPKG-ISLYRVAYSA-N
Compound name
3-(N-methylanilino)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17322 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18050 185.0
[M+Na]+ 377.16244 189.6
[M-H]- 353.16594 196.2
[M+NH4]+ 372.20704 189.6
[M+K]+ 393.13638 186.8
[M+H-H2O]+ 337.17048 167.8
[M+HCOO]- 399.17142 205.8
[M+CH3COO]- 413.18707 222.3
[M+Na-2H]- 375.14789 187.1
[M]+ 354.17267 192.2
[M]- 354.17377 192.2
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.