CID 16075056

1-(4-nitrophenyl)-3,3-diphenyl-4-(2-thienyl)azetidin-2-one

Structural Information

Molecular Formula
C25H18N2O3S
SMILES
C1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C5=CC=CC=C5
InChI
InChI=1S/C25H18N2O3S/c28-24-25(18-8-3-1-4-9-18,19-10-5-2-6-11-19)23(22-12-7-17-31-22)26(24)20-13-15-21(16-14-20)27(29)30/h1-17,23H
InChIKey
ULLCZEDUTBQXHT-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3,3-diphenyl-4-thiophen-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.10382 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11110 196.4
[M+Na]+ 449.09304 200.4
[M-H]- 425.09654 209.9
[M+NH4]+ 444.13764 200.5
[M+K]+ 465.06698 193.2
[M+H-H2O]+ 409.10108 183.9
[M+HCOO]- 471.10202 213.1
[M+CH3COO]- 485.11767 220.4
[M+Na-2H]- 447.07849 197.7
[M]+ 426.10327 203.2
[M]- 426.10437 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.