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]+ 222.134936 148.8
[M+Na]+ 244.116878 158.8
[M-H]- 220.120384 147.4
[M+NH4]+ 239.161483 164.2
[M+K]+ 260.090818 154.7
[M+H-H2O]+ 204.124920 140.0
[M+HCOO]- 266.125861 169.6
[M+CH3COO]- 280.141511 189.3
[M+Na-2H]- 242.102326 156.6
[M]+ 221.12711142 151.8
[M]- 221.12820858 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.