CID 373551

Nsc650004

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-24-14-9-7-13(8-10-14)17-16(19)18(23)21(17)20-15(22)11-12-5-3-2-4-6-12/h2-10,16-17H,11H2,1H3,(H,20,22)
InChIKey
SHZUIMLRNWAUEX-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09277 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 174.9
[M+Na]+ 367.081988 181.5
[M-H]- 343.085494 182.6
[M+NH4]+ 362.126593 180.9
[M+K]+ 383.055928 179.5
[M+H-H2O]+ 327.090030 160.4
[M+HCOO]- 389.090971 191.1
[M+CH3COO]- 403.106621 215.3
[M+Na-2H]- 365.067436 176.4
[M]+ 344.09222142 186.5
[M]- 344.09331858 186.5
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.