CID 373556

Nsc650009

Structural Information

Molecular Formula
C18H17ClN2O4
SMILES
COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)O
InChI
InChI=1S/C18H17ClN2O4/c1-25-14-10-12(7-8-13(14)22)17-16(19)18(24)21(17)20-15(23)9-11-5-3-2-4-6-11/h2-8,10,16-17,22H,9H2,1H3,(H,20,23)
InChIKey
NTBHUTDZRRQJAT-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.08768 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09496 178.6
[M+Na]+ 383.07690 185.3
[M-H]- 359.08040 185.4
[M+NH4]+ 378.12150 183.5
[M+K]+ 399.05084 183.3
[M+H-H2O]+ 343.08494 164.4
[M+HCOO]- 405.08588 193.5
[M+CH3COO]- 419.10153 216.5
[M+Na-2H]- 381.06235 179.0
[M]+ 360.08713 190.2
[M]- 360.08823 190.2
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.