CID 135565635

Pp242

Structural Information

Molecular Formula
C16H16N6O
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N
InChI
InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
InChIKey
MFAQYJIYDMLAIM-UHFFFAOYSA-N
Compound name
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

118
References

1152
Patents

308.13855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14583 172.3
[M+Na]+ 331.12777 184.9
[M-H]- 307.13127 174.4
[M+NH4]+ 326.17237 184.9
[M+K]+ 347.10171 177.6
[M+H-H2O]+ 291.13581 163.5
[M+HCOO]- 353.13675 189.9
[M+CH3COO]- 367.15240 183.0
[M+Na-2H]- 329.11322 175.3
[M]+ 308.13800 174.6
[M]- 308.13910 174.6
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

patents stripe