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]+ 330.10038 176.3
[M+Na]+ 352.08232 183.5
[M-H]- 328.08582 184.0
[M+NH4]+ 347.12692 182.7
[M+K]+ 368.05626 180.9
[M+H-H2O]+ 312.09036 161.9
[M+HCOO]- 374.09130 192.9
[M+CH3COO]- 388.10695 216.1
[M+Na-2H]- 350.06777 176.6
[M]+ 329.09255 185.1
[M]- 329.09365 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.