CID 16075051

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

Structural Information

Molecular Formula
C27H22ClNOS
SMILES
CC1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)C5=CC=C(C=C5)C
InChI
InChI=1S/C27H22ClNOS/c1-18-5-9-20(10-6-18)27(21-11-7-19(2)8-12-21)25(24-4-3-17-31-24)29(26(27)30)23-15-13-22(28)14-16-23/h3-17,25H,1-2H3
InChIKey
WGEIMGBBNFSMFZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

443.11105 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.11833 199.5
[M+Na]+ 466.10027 209.0
[M-H]- 442.10377 213.7
[M+NH4]+ 461.14487 206.4
[M+K]+ 482.07421 203.0
[M+H-H2O]+ 426.10831 184.7
[M+HCOO]- 488.10925 211.0
[M+CH3COO]- 502.12490 209.3
[M+Na-2H]- 464.08572 196.3
[M]+ 443.11050 212.4
[M]- 443.11160 212.4
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.