CID 16075053

1-benzhydryl-3,3-bis(p-tolyl)-4-(2-thienyl)azetidin-2-one

Structural Information

Molecular Formula
C34H29NOS
SMILES
CC1=CC=C(C=C1)C2(C(N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5)C6=CC=C(C=C6)C
InChI
InChI=1S/C34H29NOS/c1-24-15-19-28(20-16-24)34(29-21-17-25(2)18-22-29)32(30-14-9-23-37-30)35(33(34)36)31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-23,31-32H,1-2H3
InChIKey
BBZQLGMUUNZVRY-UHFFFAOYSA-N
Compound name
1-benzhydryl-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

499.197 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.20428 221.3
[M+Na]+ 522.18622 226.9
[M-H]- 498.18972 237.0
[M+NH4]+ 517.23082 223.7
[M+K]+ 538.16016 221.4
[M+H-H2O]+ 482.19426 203.8
[M+HCOO]- 544.19520 234.7
[M+CH3COO]- 558.21085 228.5
[M+Na-2H]- 520.17167 216.4
[M]+ 499.19645 229.9
[M]- 499.19755 229.9
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.