CID 9589063

Brn 4262581

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
C1=CC=C(C=C1)C2C(O2)C(=O)N/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C16H13ClN2O2/c17-13-9-5-4-8-12(13)10-18-19-16(20)15-14(21-15)11-6-2-1-3-7-11/h1-10,14-15H,(H,19,20)/b18-10+
InChIKey
ZWMYZTWDWBXESY-VCHYOVAHSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 163.9
[M+Na]+ 323.05578 173.0
[M-H]- 299.05928 176.0
[M+NH4]+ 318.10038 173.9
[M+K]+ 339.02972 168.8
[M+H-H2O]+ 283.06382 156.0
[M+HCOO]- 345.06476 186.1
[M+CH3COO]- 359.08041 209.1
[M+Na-2H]- 321.04123 170.2
[M]+ 300.06601 169.5
[M]- 300.06711 169.5
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.