CID 9574314

[1-aza-2-(3-fluorophenyl)vinyl](imino-4-pyridylmethyl)amine

Structural Information

Molecular Formula
C13H11FN4
SMILES
C1=CC(=CC(=C1)F)/C=N/N=C(/C2=CC=NC=C2)\N
InChI
InChI=1S/C13H11FN4/c14-12-3-1-2-10(8-12)9-17-18-13(15)11-4-6-16-7-5-11/h1-9H,(H2,15,18)/b17-9+
InChIKey
REGHDDGKMKZEMU-RQZCQDPDSA-N
Compound name
N'-[(E)-(3-fluorophenyl)methylideneamino]pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.09677 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10405 152.2
[M+Na]+ 265.08599 159.0
[M-H]- 241.08949 158.4
[M+NH4]+ 260.13059 168.1
[M+K]+ 281.05993 155.1
[M+H-H2O]+ 225.09403 141.8
[M+HCOO]- 287.09497 179.4
[M+CH3COO]- 301.11062 202.6
[M+Na-2H]- 263.07144 159.5
[M]+ 242.09622 149.2
[M]- 242.09732 149.2
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.