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]+ 259.074506 157.6
[M+Na]+ 281.056448 165.1
[M-H]- 257.059954 164.9
[M+NH4]+ 276.101053 173.8
[M+K]+ 297.030388 159.9
[M+H-H2O]+ 241.064490 148.8
[M+HCOO]- 303.065431 181.2
[M+CH3COO]- 317.081081 203.6
[M+Na-2H]- 279.041896 164.9
[M]+ 258.06668142 157.9
[M]- 258.06777858 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

literature stripe

Patent stripe

No patent data available for this compound.