CID 478975

Chembl120853

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C[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/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17-/m1/s1
InChIKey
BRYGRWNTDBRNDJ-SJKOYZFVSA-N
Compound name
4-[(2R,3S)-1-(benzylcarbamoyl)-3-methyl-4-oxoazetidin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.12158 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 182.6
[M+Na]+ 377.11080 186.5
[M-H]- 353.11430 189.1
[M+NH4]+ 372.15540 186.0
[M+K]+ 393.08474 186.9
[M+H-H2O]+ 337.11884 166.9
[M+HCOO]- 399.11978 200.6
[M+CH3COO]- 413.13543 216.5
[M+Na-2H]- 375.09625 182.0
[M]+ 354.12103 191.7
[M]- 354.12213 191.7
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.