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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08473 170.7
[M+Na]+ 338.06667 177.4
[M-H]- 314.07017 178.2
[M+NH4]+ 333.11127 177.4
[M+K]+ 354.04061 174.9
[M+H-H2O]+ 298.07471 156.2
[M+HCOO]- 360.07565 187.7
[M+CH3COO]- 374.09130 212.0
[M+Na-2H]- 336.05212 172.3
[M]+ 315.07690 178.7
[M]- 315.07800 178.7
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.