CID 51060976

3,4-dichloro-n-(2-(2-(2-((4-chlorobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C23H18Cl3N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18Cl3N3O3/c24-18-8-5-15(6-9-18)14-32-21-4-2-1-3-17(21)12-28-29-22(30)13-27-23(31)16-7-10-19(25)20(26)11-16/h1-12H,13-14H2,(H,27,31)(H,29,30)/b28-12+
InChIKey
RGUWDZMAXZTPRX-KVSWJAHQSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.04138 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.04866 212.8
[M+Na]+ 512.03060 219.5
[M-H]- 488.03410 221.4
[M+NH4]+ 507.07520 221.3
[M+K]+ 528.00454 212.3
[M+H-H2O]+ 472.03864 204.3
[M+HCOO]- 534.03958 224.1
[M+CH3COO]- 548.05523 241.5
[M+Na-2H]- 510.01605 212.8
[M]+ 489.04083 219.3
[M]- 489.04193 219.3
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.