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]+ 274.07418 161.0
[M+Na]+ 296.05612 168.9
[M-H]- 272.05962 168.7
[M+NH4]+ 291.10072 177.2
[M+K]+ 312.03006 164.4
[M+H-H2O]+ 256.06416 152.0
[M+HCOO]- 318.06510 184.1
[M+CH3COO]- 332.08075 203.6
[M+Na-2H]- 294.04157 168.3
[M]+ 273.06635 164.6
[M]- 273.06745 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.