CID 9589063

Oxiranecarboxylic acid, 3-phenyl-, ((2-chlorophenyl)methylene)hydrazide

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]+ 301.073836 163.9
[M+Na]+ 323.055778 173.0
[M-H]- 299.059284 176.0
[M+NH4]+ 318.100383 173.9
[M+K]+ 339.029718 168.8
[M+H-H2O]+ 283.063820 156.0
[M+HCOO]- 345.064761 186.1
[M+CH3COO]- 359.080411 209.1
[M+Na-2H]- 321.041226 170.2
[M]+ 300.06601142 169.5
[M]- 300.06710858 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.