CID 374793

Nsc653038

Structural Information

Molecular Formula
C18H17ClN2O5
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)OC
InChI
InChI=1S/C18H17ClN2O5/c1-25-13-8-7-10(9-14(13)26-2)16-15(19)18(24)21(16)20-17(23)11-5-3-4-6-12(11)22/h3-9,15-16,22H,1-2H3,(H,20,23)
InChIKey
XPDCZPRYRUEWFS-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.0826 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08988 181.1
[M+Na]+ 399.07182 188.2
[M-H]- 375.07532 188.2
[M+NH4]+ 394.11642 185.4
[M+K]+ 415.04576 187.2
[M+H-H2O]+ 359.07986 166.8
[M+HCOO]- 421.08080 196.0
[M+CH3COO]- 435.09645 220.0
[M+Na-2H]- 397.05727 180.9
[M]+ 376.08205 194.4
[M]- 376.08315 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.