CID 11647858

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

Structural Information

Molecular Formula
C28H25NO2S
SMILES
CC1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CS4)C5=CC=C(C=C5)C
InChI
InChI=1S/C28H25NO2S/c1-19-6-10-21(11-7-19)28(22-12-8-20(2)9-13-22)26(25-5-4-18-32-25)29(27(28)30)23-14-16-24(31-3)17-15-23/h4-18,26H,1-3H3
InChIKey
VZGUUYMNTKSUSM-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-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

439.1606 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16788 202.9
[M+Na]+ 462.14982 210.6
[M-H]- 438.15332 217.2
[M+NH4]+ 457.19442 208.7
[M+K]+ 478.12376 206.5
[M+H-H2O]+ 422.15786 187.3
[M+HCOO]- 484.15880 218.5
[M+CH3COO]- 498.17445 212.3
[M+Na-2H]- 460.13527 199.6
[M]+ 439.16005 215.1
[M]- 439.16115 215.1
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.