CID 126970853

5-benzyl-4h,5h,6h,7h-pyrazolo[1,5-a]pyrazin-2-amine

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CN2C(=CC(=N2)N)CN1CC3=CC=CC=C3
InChI
InChI=1S/C13H16N4/c14-13-8-12-10-16(6-7-17(12)15-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,14,15)
InChIKey
JNCRDCCWEWLFSB-UHFFFAOYSA-N
Compound name
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 151.8
[M+Na]+ 251.12672 159.2
[M-H]- 227.13022 154.6
[M+NH4]+ 246.17132 167.9
[M+K]+ 267.10066 154.4
[M+H-H2O]+ 211.13476 142.2
[M+HCOO]- 273.13570 170.7
[M+CH3COO]- 287.15135 162.9
[M+Na-2H]- 249.11217 156.7
[M]+ 228.13695 147.9
[M]- 228.13805 147.9
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.