CID 9555921

Nsc655508

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CO/C(=N\N=C\C1=CC=C(C=C1)Cl)/C2=CC=NC=C2
InChI
InChI=1S/C14H12ClN3O/c1-19-14(12-6-8-16-9-7-12)18-17-10-11-2-4-13(15)5-3-11/h2-10H,1H3/b17-10+,18-14-
InChIKey
HCYTWDDFZWJQLP-CEKGWZEMSA-N
Compound name
methyl (NE,4Z)-N-[(4-chlorophenyl)methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0669 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.074176 161.0
[M+Na]+ 296.056118 168.9
[M-H]- 272.059624 168.7
[M+NH4]+ 291.100723 177.2
[M+K]+ 312.030058 164.4
[M+H-H2O]+ 256.064160 152.0
[M+HCOO]- 318.065101 184.1
[M+CH3COO]- 332.080751 203.6
[M+Na-2H]- 294.041566 168.3
[M]+ 273.06635142 164.6
[M]- 273.06744858 164.6
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.