CID 374792

Nsc653037

Structural Information

Molecular Formula
C17H15ClN2O5
SMILES
COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O
InChI
InChI=1S/C17H15ClN2O5/c1-25-13-8-9(6-7-12(13)22)15-14(18)17(24)20(15)19-16(23)10-4-2-3-5-11(10)21/h2-8,14-15,21-22H,1H3,(H,19,23)
InChIKey
DNIZVVGRQYNGJF-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.06696 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07424 177.7
[M+Na]+ 385.05618 184.8
[M-H]- 361.05968 183.6
[M+NH4]+ 380.10078 181.9
[M+K]+ 401.03012 183.2
[M+H-H2O]+ 345.06422 163.9
[M+HCOO]- 407.06516 191.5
[M+CH3COO]- 421.08081 215.1
[M+Na-2H]- 383.04163 177.4
[M]+ 362.06641 189.0
[M]- 362.06751 189.0
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.