CID 479060

Chembl74483

Structural Information

Molecular Formula
C20H20N2O5
SMILES
CC[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H20N2O5/c1-2-16-17(23)22(20(26)21-12-13-6-4-3-5-7-13)18(16)27-15-10-8-14(9-11-15)19(24)25/h3-11,16,18H,2,12H2,1H3,(H,21,26)(H,24,25)/t16-,18-/m1/s1
InChIKey
LPVMGHAIQBNBCR-SJLPKXTDSA-N
Compound name
4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.1372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 187.1
[M+Na]+ 391.12642 190.6
[M-H]- 367.12992 193.4
[M+NH4]+ 386.17102 190.0
[M+K]+ 407.10036 190.8
[M+H-H2O]+ 351.13446 171.2
[M+HCOO]- 413.13540 204.8
[M+CH3COO]- 427.15105 219.3
[M+Na-2H]- 389.11187 186.1
[M]+ 368.13665 196.6
[M]- 368.13775 196.6
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.