CID 16075048

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

Structural Information

Molecular Formula
C27H23NOS
SMILES
CC1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=CC=C3)C4=CC=CS4)C5=CC=C(C=C5)C
InChI
InChI=1S/C27H23NOS/c1-19-10-14-21(15-11-19)27(22-16-12-20(2)13-17-22)25(24-9-6-18-30-24)28(26(27)29)23-7-4-3-5-8-23/h3-18,25H,1-2H3
InChIKey
NZSHOMGHAUXCOA-UHFFFAOYSA-N
Compound name
3,3-bis(4-methylphenyl)-1-phenyl-4-thiophen-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.15002 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15730 195.0
[M+Na]+ 432.13924 203.0
[M-H]- 408.14274 209.3
[M+NH4]+ 427.18384 202.1
[M+K]+ 448.11318 198.2
[M+H-H2O]+ 392.14728 179.7
[M+HCOO]- 454.14822 211.0
[M+CH3COO]- 468.16387 204.9
[M+Na-2H]- 430.12469 192.7
[M]+ 409.14947 205.3
[M]- 409.15057 205.3
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.