CID 396579

Nsc703068

Structural Information

Molecular Formula
C13H17N7O2
SMILES
COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)CCCCO
InChI
InChI=1S/C13H17N7O2/c1-22-13-11-6-16-20(12(11)14-9-15-13)8-10-7-19(18-17-10)4-2-3-5-21/h6-7,9,21H,2-5,8H2,1H3
InChIKey
FAELBTLRRBUTOE-UHFFFAOYSA-N
Compound name
4-[4-[(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.14438 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15166 169.7
[M+Na]+ 326.13360 180.8
[M-H]- 302.13710 168.5
[M+NH4]+ 321.17820 179.3
[M+K]+ 342.10754 175.8
[M+H-H2O]+ 286.14164 158.7
[M+HCOO]- 348.14258 186.4
[M+CH3COO]- 362.15823 179.6
[M+Na-2H]- 324.11905 173.0
[M]+ 303.14383 175.6
[M]- 303.14493 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.