CID 4371378

853680-94-1

Structural Information

Molecular Formula
C9H12N6
SMILES
C1CN(CCN1)C2=NC=NC3=C2C=NN3
InChI
InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-5-13-14-8(7)11-6-12-9/h5-6,10H,1-4H2,(H,11,12,13,14)
InChIKey
NFHSFWKTBQIKAE-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.11235 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 146.5
[M+Na]+ 227.101568 154.9
[M-H]- 203.105074 143.2
[M+NH4]+ 222.146173 158.2
[M+K]+ 243.075508 148.9
[M+H-H2O]+ 187.109610 135.7
[M+HCOO]- 249.110551 159.0
[M+CH3COO]- 263.126201 155.8
[M+Na-2H]- 225.087016 153.1
[M]+ 204.11180142 140.4
[M]- 204.11289858 140.4
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

patents stripe