CID 212179

Dtxsid70946800

Structural Information

Molecular Formula

C₁₃H₁₈Cl₂N₂O₂

SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NNC(C)C)Cl

InChI

InChI=1S/C13H18Cl2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h6-8,16H,4-5H2,1-3H3,(H,17,18)

InChIKey

LJERRPOPPQZWGJ-UHFFFAOYSA-N

Compound name

3,5-dichloro-N'-propan-2-yl-4-propoxybenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.07452 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.081796	168.2
[M+Na]+	327.063738	175.9
[M-H]-	303.067244	171.4
[M+NH4]+	322.108343	184.6
[M+K]+	343.037678	171.0
[M+H-H2O]+	287.071780	163.5
[M+HCOO]-	349.072721	182.6
[M+CH3COO]-	363.088371	209.0
[M+Na-2H]-	325.049186	169.0
[M]+	304.07397142	173.3
[M]-	304.07506858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.