CID 478974

Chembl332366

Structural Information

Molecular Formula
C18H16N2O5
SMILES
C1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C18H16N2O5/c21-15-10-16(25-14-8-6-13(7-9-14)17(22)23)20(15)18(24)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,24)(H,22,23)/t16-/m1/s1
InChIKey
BTBJESYDKWWNRJ-MRXNPFEDSA-N
Compound name
4-[(2R)-1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.10593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 177.3
[M+Na]+ 363.09515 180.8
[M-H]- 339.09865 183.6
[M+NH4]+ 358.13975 181.0
[M+K]+ 379.06909 181.3
[M+H-H2O]+ 323.10319 161.5
[M+HCOO]- 385.10413 195.7
[M+CH3COO]- 399.11978 212.3
[M+Na-2H]- 361.08060 178.0
[M]+ 340.10538 185.7
[M]- 340.10648 185.7
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.