CID 17730750

N'-(4-((4-chlorobenzyl)oxy)benzylidene)-2-(2,4-dichlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C22H17Cl3N2O3
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C22H17Cl3N2O3/c23-17-5-1-16(2-6-17)13-29-19-8-3-15(4-9-19)12-26-27-22(28)14-30-21-10-7-18(24)11-20(21)25/h1-12H,13-14H2,(H,27,28)/b26-12+
InChIKey
HYRWWUIUMLSNRT-RPPGKUMJSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0305 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.03778 205.2
[M+Na]+ 485.01972 213.2
[M-H]- 461.02322 213.8
[M+NH4]+ 480.06432 215.1
[M+K]+ 500.99366 206.0
[M+H-H2O]+ 445.02776 196.7
[M+HCOO]- 507.02870 216.4
[M+CH3COO]- 521.04435 234.2
[M+Na-2H]- 483.00517 206.2
[M]+ 462.02995 213.0
[M]- 462.03105 213.0
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.