CID 62586442

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

Structural Information

Molecular Formula
C12H13ClN4
SMILES
C1CN2C(=NN=C2CC3=CC=CC=C3Cl)CN1
InChI
InChI=1S/C12H13ClN4/c13-10-4-2-1-3-9(10)7-11-15-16-12-8-14-5-6-17(11)12/h1-4,14H,5-8H2
InChIKey
LGHFCYWBVKJPCV-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

248.08287 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09015 154.6
[M+Na]+ 271.07209 169.3
[M+NH4]+ 266.11669 163.0
[M+K]+ 287.04603 163.0
[M-H]- 247.07559 156.8
[M+Na-2H]- 269.05754 161.7
[M]+ 248.08232 157.5
[M]- 248.08342 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.