CID 478972

Chembl333117

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CC(C)NC(=O)N1[C@@H](CC1=O)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H16N2O5/c1-8(2)15-14(20)16-11(17)7-12(16)21-10-5-3-9(4-6-10)13(18)19/h3-6,8,12H,7H2,1-2H3,(H,15,20)(H,18,19)/t12-/m1/s1
InChIKey
ILNDOMMFVKZUEX-GFCCVEGCSA-N
Compound name
4-[(2R)-4-oxo-1-(propan-2-ylcarbamoyl)azetidin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 167.8
[M+Na]+ 315.09515 171.5
[M-H]- 291.09865 171.4
[M+NH4]+ 310.13975 174.0
[M+K]+ 331.06909 173.7
[M+H-H2O]+ 275.10319 153.9
[M+HCOO]- 337.10413 185.2
[M+CH3COO]- 351.11978 205.4
[M+Na-2H]- 313.08060 166.7
[M]+ 292.10538 176.9
[M]- 292.10648 176.9
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.