CID 126970853

1823227-35-5

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]+ 229.144776 151.8
[M+Na]+ 251.126718 159.2
[M-H]- 227.130224 154.6
[M+NH4]+ 246.171323 167.9
[M+K]+ 267.100658 154.4
[M+H-H2O]+ 211.134760 142.2
[M+HCOO]- 273.135701 170.7
[M+CH3COO]- 287.151351 162.9
[M+Na-2H]- 249.112166 156.7
[M]+ 228.13695142 147.9
[M]- 228.13804858 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.