CID 9574306

[1-aza-2-(4-chlorophenyl)vinyl](imino-4-pyridylmethyl)amine

Structural Information

Molecular Formula
C13H11ClN4
SMILES
C1=CC(=CC=C1/C=N/N=C(/C2=CC=NC=C2)\N)Cl
InChI
InChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)9-17-18-13(15)11-5-7-16-8-6-11/h1-9H,(H2,15,18)/b17-9+
InChIKey
QNJNIKWESLVGRF-RQZCQDPDSA-N
Compound name
N'-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.06723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07451 157.6
[M+Na]+ 281.05645 165.1
[M-H]- 257.05995 164.9
[M+NH4]+ 276.10105 173.8
[M+K]+ 297.03039 159.9
[M+H-H2O]+ 241.06449 148.8
[M+HCOO]- 303.06543 181.2
[M+CH3COO]- 317.08108 203.6
[M+Na-2H]- 279.04190 164.9
[M]+ 258.06668 157.9
[M]- 258.06778 157.9
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.