CID 6510189

Brn 4264838

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C/C(=N/NC(=O)C1C(O1)C2=CC=CC=C2)/C3=CC=CC=C3Cl
InChI
InChI=1S/C17H15ClN2O2/c1-11(13-9-5-6-10-14(13)18)19-20-17(21)16-15(22-16)12-7-3-2-4-8-12/h2-10,15-16H,1H3,(H,20,21)/b19-11-
InChIKey
QDAMCKJYEISSPE-ODLFYWEKSA-N
Compound name
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-phenyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0822 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 167.6
[M+Na]+ 337.07142 176.0
[M-H]- 313.07492 179.5
[M+NH4]+ 332.11602 176.9
[M+K]+ 353.04536 172.0
[M+H-H2O]+ 297.07946 159.7
[M+HCOO]- 359.08040 188.5
[M+CH3COO]- 373.09605 212.8
[M+Na-2H]- 335.05687 172.4
[M]+ 314.08165 173.0
[M]- 314.08275 173.0
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.