CID 516627

121845-78-1

Structural Information

Molecular Formula
C14H11FN4
SMILES
CC1=CC2=C(C(=N1)C)N=C(N=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN4/c1-8-7-12-13(9(2)16-8)17-14(19-18-12)10-3-5-11(15)6-4-10/h3-7H,1-2H3
InChIKey
CCDSSJHYLBLXRY-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.09677 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10405 159.8
[M+Na]+ 277.08599 171.8
[M-H]- 253.08949 161.4
[M+NH4]+ 272.13059 172.7
[M+K]+ 293.05993 165.2
[M+H-H2O]+ 237.09403 148.3
[M+HCOO]- 299.09497 177.2
[M+CH3COO]- 313.11062 171.2
[M+Na-2H]- 275.07144 167.2
[M]+ 254.09622 160.0
[M]- 254.09732 160.0
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.