CID 9578549

Benzoic acid, 4-butoxy-3,5-dichloro-, 2-benzylidenehydrazide

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c1-2-3-9-24-17-15(19)10-14(11-16(17)20)18(23)22-21-12-13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)/b21-12+
InChIKey
GMALOZXGFVTEOP-CIAFOILYSA-N
Compound name
N-[(E)-benzylideneamino]-4-butoxy-3,5-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.081796 184.7
[M+Na]+ 387.063738 192.6
[M-H]- 363.067244 191.8
[M+NH4]+ 382.108343 198.9
[M+K]+ 403.037678 185.9
[M+H-H2O]+ 347.071780 177.4
[M+HCOO]- 409.072721 201.4
[M+CH3COO]- 423.088371 219.5
[M+Na-2H]- 385.049186 187.0
[M]+ 364.07397142 191.1
[M]- 364.07506858 191.1
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.