CID 212134

Benzoic acid, 3,5-dichloro-4-isopropoxy-, 2-benzylhydrazide, monohydrochloride

Structural Information

Molecular Formula
C17H18Cl2N2O2
SMILES
CC(C)OC1=C(C=C(C=C1Cl)C(=O)NNCC2=CC=CC=C2)Cl
InChI
InChI=1S/C17H18Cl2N2O2/c1-11(2)23-16-14(18)8-13(9-15(16)19)17(22)21-20-10-12-6-4-3-5-7-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKey
JKFYSICVSBKXAX-UHFFFAOYSA-N
Compound name
N'-benzyl-3,5-dichloro-4-propan-2-yloxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.07452 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08180 180.1
[M+Na]+ 375.06374 187.3
[M-H]- 351.06724 186.0
[M+NH4]+ 370.10834 194.0
[M+K]+ 391.03768 181.2
[M+H-H2O]+ 335.07178 173.6
[M+HCOO]- 397.07272 194.6
[M+CH3COO]- 411.08837 216.5
[M+Na-2H]- 373.04919 181.5
[M]+ 352.07397 184.6
[M]- 352.07507 184.6
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.