CID 374167

Nsc651642

Structural Information

Molecular Formula
C16H14ClN3O3
SMILES
C1=CC(=CC(=C1)O)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C16H14ClN3O3/c17-13-14(10-2-1-3-12(21)8-10)20(16(13)23)19-15(22)9-4-6-11(18)7-5-9/h1-8,13-14,21H,18H2,(H,19,22)
InChIKey
DLROLMYUVONQJA-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(3-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07236 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07964 174.7
[M+Na]+ 354.06158 181.5
[M-H]- 330.06508 181.3
[M+NH4]+ 349.10618 180.2
[M+K]+ 370.03552 179.1
[M+H-H2O]+ 314.06962 160.5
[M+HCOO]- 376.07056 190.4
[M+CH3COO]- 390.08621 213.3
[M+Na-2H]- 352.04703 175.1
[M]+ 331.07181 182.7
[M]- 331.07291 182.7
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.