CID 374165

Nsc651640

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O₂

SMILES

C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl

InChI

InChI=1S/C16H14ClN3O2/c17-13-14(10-4-2-1-3-5-10)20(16(13)22)19-15(21)11-6-8-12(18)9-7-11/h1-9,13-14H,18H2,(H,19,21)

InChIKey

XMGMSRWEFFJJLL-UHFFFAOYSA-N

Compound name

4-amino-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.07745 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.084726	170.7
[M+Na]+	338.066668	177.4
[M-H]-	314.070174	178.2
[M+NH4]+	333.111273	177.4
[M+K]+	354.040608	174.9
[M+H-H2O]+	298.074710	156.2
[M+HCOO]-	360.075651	187.7
[M+CH3COO]-	374.091301	212.0
[M+Na-2H]-	336.052116	172.3
[M]+	315.07690142	178.7
[M]-	315.07799858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.