CID 10331863

Adx 10059

Structural Information

Molecular Formula
C15H13FN2
SMILES
CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C
InChI
InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3
InChIKey
MEDCLNYIYBERKO-UHFFFAOYSA-N
Compound name
2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

89
Patents

240.10628 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.113556 156.2
[M+Na]+ 263.095498 167.8
[M-H]- 239.099004 158.0
[M+NH4]+ 258.140103 170.4
[M+K]+ 279.069438 160.6
[M+H-H2O]+ 223.103540 141.6
[M+HCOO]- 285.104481 172.3
[M+CH3COO]- 299.120131 202.7
[M+Na-2H]- 261.080946 158.3
[M]+ 240.10573142 148.5
[M]- 240.10682858 148.5
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

patents stripe