CID 16075054

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

Structural Information

Molecular Formula
C26H21NO2S
SMILES
COC1=CC=C(C=C1)N2C(C(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5
InChI
InChI=1S/C26H21NO2S/c1-29-22-16-14-21(15-17-22)27-24(23-13-8-18-30-23)26(25(27)28,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,24H,1H3
InChIKey
RVNLSYSVEDHAJB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3,3-diphenyl-4-thiophen-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.1293 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13658 193.5
[M+Na]+ 434.11852 200.7
[M-H]- 410.12202 207.5
[M+NH4]+ 429.16312 200.0
[M+K]+ 450.09246 196.9
[M+H-H2O]+ 394.12656 178.0
[M+HCOO]- 456.12750 209.9
[M+CH3COO]- 470.14315 203.2
[M+Na-2H]- 432.10397 192.5
[M]+ 411.12875 204.3
[M]- 411.12985 204.3
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.