CID 91618245

2117405-13-5

Structural Information

Molecular Formula
C18H19FN6
SMILES
CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C4=CN=C(C=C4)F
InChI
InChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKey
AJIAMIPUWJQSPR-UHFFFAOYSA-N
Compound name
2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

18
Patents

338.16553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17281 183.3
[M+Na]+ 361.15475 191.3
[M-H]- 337.15825 186.5
[M+NH4]+ 356.19935 189.4
[M+K]+ 377.12869 183.3
[M+H-H2O]+ 321.16279 168.3
[M+HCOO]- 383.16373 195.6
[M+CH3COO]- 397.17938 191.0
[M+Na-2H]- 359.14020 183.6
[M]+ 338.16498 178.4
[M]- 338.16608 178.4
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

patents stripe