CID 373552

Nsc650005

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H15ClN2O3/c18-15-16(12-6-8-13(21)9-7-12)20(17(15)23)19-14(22)10-11-4-2-1-3-5-11/h1-9,15-16,21H,10H2,(H,19,22)
InChIKey
FYMORAVOLCMQCC-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 171.3
[M+Na]+ 353.06634 177.9
[M-H]- 329.06984 177.9
[M+NH4]+ 348.11094 177.2
[M+K]+ 369.04028 175.3
[M+H-H2O]+ 313.07438 157.3
[M+HCOO]- 375.07532 186.4
[M+CH3COO]- 389.09097 210.2
[M+Na-2H]- 351.05179 172.8
[M]+ 330.07657 180.9
[M]- 330.07767 180.9
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.