CID 374172

Nsc651648

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C17H16ClN3O2/c1-10-2-4-11(5-3-10)15-14(18)17(23)21(15)20-16(22)12-6-8-13(19)9-7-12/h2-9,14-15H,19H2,1H3,(H,20,22)
InChIKey
YNXDEKKYOCGUHL-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(4-methylphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 176.3
[M+Na]+ 352.082318 183.5
[M-H]- 328.085824 184.0
[M+NH4]+ 347.126923 182.7
[M+K]+ 368.056258 180.9
[M+H-H2O]+ 312.090360 161.9
[M+HCOO]- 374.091301 192.9
[M+CH3COO]- 388.106951 216.1
[M+Na-2H]- 350.067766 176.6
[M]+ 329.09255142 185.1
[M]- 329.09364858 185.1
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.