CID 16075055

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

Structural Information

Molecular Formula
C27H23NO2S
SMILES
CCOC1=CC=C(C=C1)N2C(C(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5
InChI
InChI=1S/C27H23NO2S/c1-2-30-23-17-15-22(16-18-23)28-25(24-14-9-19-31-24)27(26(28)29,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-19,25H,2H2,1H3
InChIKey
BHROGRMKZKEUNL-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3,3-diphenyl-4-thiophen-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.14496 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15224 197.8
[M+Na]+ 448.13418 204.5
[M-H]- 424.13768 211.5
[M+NH4]+ 443.17878 203.7
[M+K]+ 464.10812 200.4
[M+H-H2O]+ 408.14222 182.0
[M+HCOO]- 470.14316 213.8
[M+CH3COO]- 484.15881 207.0
[M+Na-2H]- 446.11963 196.3
[M]+ 425.14441 208.8
[M]- 425.14551 208.8
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.