CID 399603

Nsc710500

Structural Information

Molecular Formula
C11H14N8O2
SMILES
C1=C(N=NN1COCCO)CN2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C11H14N8O2/c12-10-9-3-15-19(11(9)14-6-13-10)5-8-4-18(17-16-8)7-21-2-1-20/h3-4,6,20H,1-2,5,7H2,(H2,12,13,14)
InChIKey
MDXHCAZRCJLQIS-UHFFFAOYSA-N
Compound name
2-[[4-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12396 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13124 163.2
[M+Na]+ 313.11318 174.3
[M-H]- 289.11668 162.1
[M+NH4]+ 308.15778 172.8
[M+K]+ 329.08712 169.4
[M+H-H2O]+ 273.12122 152.4
[M+HCOO]- 335.12216 181.1
[M+CH3COO]- 349.13781 173.3
[M+Na-2H]- 311.09863 167.8
[M]+ 290.12341 167.0
[M]- 290.12451 167.0
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.