CID 478973

Chembl334176

Structural Information

Molecular Formula
C17H14N2O5
SMILES
C1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C17H14N2O5/c20-14-10-15(24-13-8-6-11(7-9-13)16(21)22)19(14)17(23)18-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,23)(H,21,22)/t15-/m1/s1
InChIKey
MRQKWZTXSAQMSL-OAHLLOKOSA-N
Compound name
4-[(2R)-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.09027 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09755 172.7
[M+Na]+ 349.07949 176.7
[M-H]- 325.08299 179.2
[M+NH4]+ 344.12409 177.0
[M+K]+ 365.05343 177.4
[M+H-H2O]+ 309.08753 157.2
[M+HCOO]- 371.08847 191.5
[M+CH3COO]- 385.10412 209.5
[M+Na-2H]- 347.06494 174.0
[M]+ 326.08972 180.8
[M]- 326.09082 180.8
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.