CID 45054413

3,4-dichloro-n-(2-(2-(4-ethoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H17Cl2N3O3
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O3/c1-2-26-14-6-3-12(4-7-14)10-22-23-17(24)11-21-18(25)13-5-8-15(19)16(20)9-13/h3-10H,2,11H2,1H3,(H,21,25)(H,23,24)/b22-10+
InChIKey
WCETYHHFHPTQNY-LSHDLFTRSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.0647 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07198 190.8
[M+Na]+ 416.05392 197.6
[M-H]- 392.05742 198.0
[M+NH4]+ 411.09852 203.2
[M+K]+ 432.02786 191.8
[M+H-H2O]+ 376.06196 183.3
[M+HCOO]- 438.06290 208.0
[M+CH3COO]- 452.07855 226.2
[M+Na-2H]- 414.03937 192.5
[M]+ 393.06415 196.7
[M]- 393.06525 196.7
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.