CID 62586441

3-[(3-fluorophenyl)methyl]-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C12H13FN4
SMILES
C1CN2C(=NN=C2CC3=CC(=CC=C3)F)CN1
InChI
InChI=1S/C12H13FN4/c13-10-3-1-2-9(6-10)7-11-15-16-12-8-14-4-5-17(11)12/h1-3,6,14H,4-5,7-8H2
InChIKey
YFJDCRCHIXBUHZ-UHFFFAOYSA-N
Compound name
3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.11243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11971 151.9
[M+Na]+ 255.10165 160.3
[M-H]- 231.10515 151.2
[M+NH4]+ 250.14625 166.2
[M+K]+ 271.07559 154.5
[M+H-H2O]+ 215.10969 141.1
[M+HCOO]- 277.11063 166.7
[M+CH3COO]- 291.12628 162.1
[M+Na-2H]- 253.08710 156.4
[M]+ 232.11188 147.0
[M]- 232.11298 147.0
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.