CID 469520

Methyl 4-[2-(4-methoxyphenyl)-4-oxo-3-(p-tolylsulfonyloxy)azetidin-1-yl]benzoate

Structural Information

Molecular Formula
C25H23NO7S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2C(N(C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H23NO7S/c1-16-4-14-21(15-5-16)34(29,30)33-23-22(17-8-12-20(31-2)13-9-17)26(24(23)27)19-10-6-18(7-11-19)25(28)32-3/h4-15,22-23H,1-3H3
InChIKey
JRHHLERSCHACJY-UHFFFAOYSA-N
Compound name
methyl 4-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxy-4-oxoazetidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.11954 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.12682 208.1
[M+Na]+ 504.10876 212.6
[M-H]- 480.11226 218.4
[M+NH4]+ 499.15336 207.3
[M+K]+ 520.08270 212.8
[M+H-H2O]+ 464.11680 190.7
[M+HCOO]- 526.11774 220.5
[M+CH3COO]- 540.13339 236.7
[M+Na-2H]- 502.09421 206.5
[M]+ 481.11899 223.5
[M]- 481.12009 223.5
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.