CID 9688624

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

Structural Information

Molecular Formula
C16H12Cl3N3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C16H12Cl3N3O2/c17-12-4-2-1-3-11(12)8-21-22-15(23)9-20-16(24)10-5-6-13(18)14(19)7-10/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+
InChIKey
RCWLGDDIBGKIRG-ODCIPOBUSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.9995 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00678 185.9
[M+Na]+ 405.98872 193.7
[M-H]- 381.99222 192.0
[M+NH4]+ 401.03332 198.9
[M+K]+ 421.96266 186.9
[M+H-H2O]+ 365.99676 179.8
[M+HCOO]- 427.99770 198.0
[M+CH3COO]- 442.01335 222.5
[M+Na-2H]- 403.97417 187.3
[M]+ 382.99895 190.1
[M]- 383.00005 190.1
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.