CID 516629

121845-81-6

Structural Information

Molecular Formula
C14H12FN5
SMILES
CC1=C(C2=C(C(=N1)C)N=C(N=N2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C14H12FN5/c1-7-11(16)13-12(8(2)17-7)18-14(20-19-13)9-3-5-10(15)6-4-9/h3-6H,16H2,1-2H3
InChIKey
JAOCVEUXLCGBQW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.10767 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11495 165.2
[M+Na]+ 292.09689 177.4
[M-H]- 268.10039 166.9
[M+NH4]+ 287.14149 177.3
[M+K]+ 308.07083 170.3
[M+H-H2O]+ 252.10493 154.0
[M+HCOO]- 314.10587 183.1
[M+CH3COO]- 328.12152 176.2
[M+Na-2H]- 290.08234 171.5
[M]+ 269.10712 164.4
[M]- 269.10822 164.4
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.