CID 45054168

3,4-dichloro-n-(2-(2-(2-me-3-ph-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C19H17Cl2N3O2
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O2/c1-13(9-14-5-3-2-4-6-14)11-23-24-18(25)12-22-19(26)15-7-8-16(20)17(21)10-15/h2-11H,12H2,1H3,(H,22,26)(H,24,25)/b13-9-,23-11+
InChIKey
ITCLURMQILOMOF-WQAGWHGLSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0698 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07708 190.8
[M+Na]+ 412.05902 202.6
[M+NH4]+ 407.10362 197.0
[M+K]+ 428.03296 194.4
[M-H]- 388.06252 195.1
[M+Na-2H]- 410.04447 197.7
[M]+ 389.06925 194.0
[M]- 389.07035 194.0
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.