CID 212289

Benzoic acid, 4-butoxy-3,5-dichloro-, 2-isopropylhydrazide, monohydrochloride

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)NNC(C)C)Cl
InChI
InChI=1S/C14H20Cl2N2O2/c1-4-5-6-20-13-11(15)7-10(8-12(13)16)14(19)18-17-9(2)3/h7-9,17H,4-6H2,1-3H3,(H,18,19)
InChIKey
OUSPVWYVWOXUTD-UHFFFAOYSA-N
Compound name
4-butoxy-3,5-dichloro-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09018 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.097456 172.8
[M+Na]+ 341.079398 180.0
[M-H]- 317.082904 175.8
[M+NH4]+ 336.124003 188.6
[M+K]+ 357.053338 174.9
[M+H-H2O]+ 301.087440 167.9
[M+HCOO]- 363.088381 186.9
[M+CH3COO]- 377.104031 212.0
[M+Na-2H]- 339.064846 173.1
[M]+ 318.08963142 178.3
[M]- 318.09072858 178.3
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.