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 192.3
[M+Na]+ 412.05902 198.1
[M-H]- 388.06252 199.1
[M+NH4]+ 407.10362 204.6
[M+K]+ 428.03296 191.2
[M+H-H2O]+ 372.06706 184.9
[M+HCOO]- 434.06800 208.2
[M+CH3COO]- 448.08365 225.2
[M+Na-2H]- 410.04447 192.9
[M]+ 389.06925 195.5
[M]- 389.07035 195.5
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.