CID 131677168

N-(4-fluoro-5-methylpyridin-2-yl)isoquinolin-6-amine

Structural Information

Molecular Formula
C15H12FN3
SMILES
CC1=CN=C(C=C1F)NC2=CC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C15H12FN3/c1-10-8-18-15(7-14(10)16)19-13-3-2-12-9-17-5-4-11(12)6-13/h2-9H,1H3,(H,18,19)
InChIKey
YKKAKBCEHOZBEQ-UHFFFAOYSA-N
Compound name
N-(4-fluoro-5-methylpyridin-2-yl)isoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

253.10153 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10881 156.1
[M+Na]+ 276.09075 165.8
[M-H]- 252.09425 160.1
[M+NH4]+ 271.13535 171.2
[M+K]+ 292.06469 159.7
[M+H-H2O]+ 236.09879 145.7
[M+HCOO]- 298.09973 177.1
[M+CH3COO]- 312.11538 167.9
[M+Na-2H]- 274.07620 164.6
[M]+ 253.10098 154.7
[M]- 253.10208 154.7
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