CID 44512896

1029714-87-1

Structural Information

Molecular Formula
C22H13FN6
SMILES
C1=CC2=C(C=CC(=C2)CC3=CN=C4N3N=C(C=N4)C5=CC(=C(C=C5)C#N)F)N=C1
InChI
InChI=1S/C22H13FN6/c23-19-10-16(4-5-17(19)11-24)21-13-27-22-26-12-18(29(22)28-21)9-14-3-6-20-15(8-14)2-1-7-25-20/h1-8,10,12-13H,9H2
InChIKey
DCHLMGJQDKHZLO-UHFFFAOYSA-N
Compound name
2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

380.11856 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12584 196.9
[M+Na]+ 403.10778 214.7
[M+NH4]+ 398.15238 200.5
[M+K]+ 419.08172 202.8
[M-H]- 379.11128 193.5
[M+Na-2H]- 401.09323 203.2
[M]+ 380.11801 197.9
[M]- 380.11911 197.9
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