CID 366103

Nsc634377

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CCCOC1=NC(=C2C=NN(C2=N1)C3CCCCO3)N
InChI
InChI=1S/C13H19N5O2/c1-2-6-20-13-16-11(14)9-8-15-18(12(9)17-13)10-5-3-4-7-19-10/h8,10H,2-7H2,1H3,(H2,14,16,17)
InChIKey
ZRRGMQDFRXRSHT-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)-6-propoxypyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15387 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 164.3
[M+Na]+ 300.14309 172.5
[M-H]- 276.14659 166.8
[M+NH4]+ 295.18769 175.9
[M+K]+ 316.11703 169.4
[M+H-H2O]+ 260.15113 153.9
[M+HCOO]- 322.15207 181.1
[M+CH3COO]- 336.16772 174.6
[M+Na-2H]- 298.12854 168.7
[M]+ 277.15332 164.7
[M]- 277.15442 164.7
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.