CID 374171

Nsc651647

Structural Information

Molecular Formula
C17H16ClN3O3
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C17H16ClN3O3/c1-24-13-8-4-10(5-9-13)15-14(18)17(23)21(15)20-16(22)11-2-6-12(19)7-3-11/h2-9,14-15H,19H2,1H3,(H,20,22)
InChIKey
ZUEVSQKEARMLSV-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09528 178.3
[M+Na]+ 368.07722 185.1
[M-H]- 344.08072 186.0
[M+NH4]+ 363.12182 183.9
[M+K]+ 384.05116 183.2
[M+H-H2O]+ 328.08526 163.5
[M+HCOO]- 390.08620 195.0
[M+CH3COO]- 404.10185 218.3
[M+Na-2H]- 366.06267 178.7
[M]+ 345.08745 188.3
[M]- 345.08855 188.3
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.