CID 137943619

2260930-76-3

Structural Information

Molecular Formula
C17H19NO2S
SMILES
CC1(C(N(C1=O)CC2=CC=C(C=C2)OC)C3=CSC=C3)C
InChI
InChI=1S/C17H19NO2S/c1-17(2)15(13-8-9-21-11-13)18(16(17)19)10-12-4-6-14(20-3)7-5-12/h4-9,11,15H,10H2,1-3H3
InChIKey
NVJCKUXHYBPEES-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-thiophen-3-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12093 163.3
[M+Na]+ 324.10287 171.9
[M+NH4]+ 319.14747 169.2
[M+K]+ 340.07681 165.0
[M-H]- 300.10637 165.2
[M+Na-2H]- 322.08832 169.6
[M]+ 301.11310 164.6
[M]- 301.11420 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.