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]-3-pyridinyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

47
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.