CID 9574315

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

Structural Information

Molecular Formula
C14H11N5
SMILES
C1=CC(=CC=C1/C=N/N=C(/C2=CC=NC=C2)\N)C#N
InChI
InChI=1S/C14H11N5/c15-9-11-1-3-12(4-2-11)10-18-19-14(16)13-5-7-17-8-6-13/h1-8,10H,(H2,16,19)/b18-10+
InChIKey
KUWLOIDKKDGFLC-VCHYOVAHSA-N
Compound name
N'-[(E)-(4-cyanophenyl)methylideneamino]pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.10144 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10872 162.4
[M+Na]+ 272.09066 170.4
[M-H]- 248.09416 167.6
[M+NH4]+ 267.13526 175.8
[M+K]+ 288.06460 165.6
[M+H-H2O]+ 232.09870 146.1
[M+HCOO]- 294.09964 185.4
[M+CH3COO]- 308.11529 214.0
[M+Na-2H]- 270.07611 168.1
[M]+ 249.10089 155.2
[M]- 249.10199 155.2
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.