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]+ 345.10005 174.9
[M+Na]+ 367.08199 181.5
[M-H]- 343.08549 182.6
[M+NH4]+ 362.12659 180.9
[M+K]+ 383.05593 179.5
[M+H-H2O]+ 327.09003 160.4
[M+HCOO]- 389.09097 191.1
[M+CH3COO]- 403.10662 215.3
[M+Na-2H]- 365.06744 176.4
[M]+ 344.09222 186.5
[M]- 344.09332 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.