CID 5868504

Nsc632929

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C(=O)NN
InChI
InChI=1S/C16H13Cl2N3O2/c17-12-7-6-10(8-13(12)18)9-14(16(23)21-19)20-15(22)11-4-2-1-3-5-11/h1-9H,19H2,(H,20,22)(H,21,23)/b14-9+
InChIKey
MSMMNDOAZXDPFT-NTEUORMPSA-N
Compound name
N-[(E)-1-(3,4-dichlorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04576 179.2
[M+Na]+ 372.02770 185.6
[M-H]- 348.03120 184.7
[M+NH4]+ 367.07230 192.3
[M+K]+ 388.00164 178.9
[M+H-H2O]+ 332.03574 172.9
[M+HCOO]- 394.03668 194.0
[M+CH3COO]- 408.05233 215.2
[M+Na-2H]- 370.01315 180.0
[M]+ 349.03793 179.4
[M]- 349.03903 179.4
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.