CID 83965875

3-(2-fluorophenyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-6-amine dihydrochloride

Structural Information

Molecular Formula
C12H13FN4
SMILES
C1CC2=NN=C(N2CC1N)C3=CC=CC=C3F
InChI
InChI=1S/C12H13FN4/c13-10-4-2-1-3-9(10)12-16-15-11-6-5-8(14)7-17(11)12/h1-4,8H,5-7,14H2
InChIKey
RJWKTISGFKLLAD-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.11243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11971 150.7
[M+Na]+ 255.10165 159.6
[M-H]- 231.10515 152.8
[M+NH4]+ 250.14625 166.9
[M+K]+ 271.07559 154.4
[M+H-H2O]+ 215.10969 140.6
[M+HCOO]- 277.11063 168.9
[M+CH3COO]- 291.12628 162.0
[M+Na-2H]- 253.08710 154.8
[M]+ 232.11188 145.9
[M]- 232.11298 145.9
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.