CID 265910

Aal8qc8peq

Structural Information

Molecular Formula
C12H13N7O4
SMILES
CN1C2=C(C=N1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)N
InChI
InChI=1S/C12H13N7O4/c1-17-11-7(6-14-17)12(18(13)4-5-20)16-10(15-11)8-2-3-9(23-8)19(21)22/h2-3,6,20H,4-5,13H2,1H3
InChIKey
IMHHGFOVFPDOAZ-UHFFFAOYSA-N
Compound name
2-[amino-[1-methyl-6-(5-nitrofuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1029 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11018 165.3
[M+Na]+ 342.09212 173.5
[M-H]- 318.09562 170.5
[M+NH4]+ 337.13672 175.8
[M+K]+ 358.06606 167.8
[M+H-H2O]+ 302.10016 160.3
[M+HCOO]- 364.10110 188.5
[M+CH3COO]- 378.11675 205.1
[M+Na-2H]- 340.07757 173.1
[M]+ 319.10235 167.6
[M]- 319.10345 167.6
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.