CID 9578547

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

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
CCCOC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c1-2-8-23-16-14(18)9-13(10-15(16)19)17(22)21-20-11-12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,21,22)/b20-11+
InChIKey
JGEFIIJPMAFTRH-RGVLZGJSSA-N
Compound name
N-[(E)-benzylideneamino]-3,5-dichloro-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.066146 180.2
[M+Na]+ 373.048088 188.5
[M-H]- 349.051594 187.4
[M+NH4]+ 368.092693 194.9
[M+K]+ 389.022028 182.0
[M+H-H2O]+ 333.056130 173.1
[M+HCOO]- 395.057071 197.2
[M+CH3COO]- 409.072721 216.6
[M+Na-2H]- 371.033536 183.0
[M]+ 350.05832142 186.2
[M]- 350.05941858 186.2
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.