CID 135417267

Nsc710503

Structural Information

Molecular Formula
C11H13N7O3
SMILES
C1=C(N=NN1COCCO)CN2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C11H13N7O3/c19-1-2-21-7-17-4-8(15-16-17)5-18-10-9(3-14-18)11(20)13-6-12-10/h3-4,6,19H,1-2,5,7H2,(H,12,13,20)
InChIKey
PZPWGGUYKXRFPM-UHFFFAOYSA-N
Compound name
1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.108 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11528 163.7
[M+Na]+ 314.09722 175.2
[M-H]- 290.10072 161.6
[M+NH4]+ 309.14182 172.9
[M+K]+ 330.07116 169.9
[M+H-H2O]+ 274.10526 153.3
[M+HCOO]- 336.10620 179.9
[M+CH3COO]- 350.12185 173.6
[M+Na-2H]- 312.08267 167.7
[M]+ 291.10745 167.8
[M]- 291.10855 167.8
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.