CID 391135

Nsc689861

Structural Information

Molecular Formula
C10H15N5O
SMILES
CNC1=C2C=NN(C2=NC=N1)CCCCO
InChI
InChI=1S/C10H15N5O/c1-11-9-8-6-14-15(4-2-3-5-16)10(8)13-7-12-9/h6-7,16H,2-5H2,1H3,(H,11,12,13)
InChIKey
FSJLWDSYKMSNCZ-UHFFFAOYSA-N
Compound name
4-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12766 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 148.8
[M+Na]+ 244.11688 158.8
[M-H]- 220.12038 147.4
[M+NH4]+ 239.16148 164.2
[M+K]+ 260.09082 154.7
[M+H-H2O]+ 204.12492 140.0
[M+HCOO]- 266.12586 169.6
[M+CH3COO]- 280.14151 189.3
[M+Na-2H]- 242.10233 156.6
[M]+ 221.12711 151.8
[M]- 221.12821 151.8
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.