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[3,4-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]+ 205.11963 146.5
[M+Na]+ 227.10157 154.9
[M-H]- 203.10507 143.2
[M+NH4]+ 222.14617 158.2
[M+K]+ 243.07551 148.9
[M+H-H2O]+ 187.10961 135.7
[M+HCOO]- 249.11055 159.0
[M+CH3COO]- 263.12620 155.8
[M+Na-2H]- 225.08702 153.1
[M]+ 204.11180 140.4
[M]- 204.11290 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