CID 383895

Nsc672806

Structural Information

Molecular Formula
C14H13Cl2N3O
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H13Cl2N3O/c1-9(11-2-3-12(15)13(16)8-11)18-19-14(20)10-4-6-17-7-5-10/h2-9,18H,1H3,(H,19,20)
InChIKey
LDQXQZDEPQBVDL-UHFFFAOYSA-N
Compound name
N'-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.04358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05086 167.2
[M+Na]+ 332.03280 174.8
[M-H]- 308.03630 171.8
[M+NH4]+ 327.07740 181.2
[M+K]+ 348.00674 168.5
[M+H-H2O]+ 292.04084 160.0
[M+HCOO]- 354.04178 181.0
[M+CH3COO]- 368.05743 207.1
[M+Na-2H]- 330.01825 171.0
[M]+ 309.04303 169.2
[M]- 309.04413 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.