CID 59322

102395-60-8

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂N₃O

SMILES

C1=CN=CC=C1C(=O)NN(CCCl)CCCl

InChI

InChI=1S/C10H13Cl2N3O/c11-3-7-15(8-4-12)14-10(16)9-1-5-13-6-2-9/h1-2,5-6H,3-4,7-8H2,(H,14,16)

InChIKey

HPMUNQZAVCGQQK-UHFFFAOYSA-N

Compound name

N',N'-bis(2-chloroethyl)pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.04358 Da
Monoisotopic Mass: 1.5
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]+	262.05086	155.5
[M+Na]+	284.03280	162.0
[M-H]-	260.03630	157.8
[M+NH4]+	279.07740	171.9
[M+K]+	300.00674	157.9
[M+H-H2O]+	244.04084	148.9
[M+HCOO]-	306.04178	170.7
[M+CH3COO]-	320.05743	199.7
[M+Na-2H]-	282.01825	160.6
[M]+	261.04303	159.1
[M]-	261.04413	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe