CID 22346757

330786-24-8

Structural Information

Molecular Formula
C17H13N5O
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N
InChI
InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
InChIKey
YYVUOZULIDAKRN-UHFFFAOYSA-N
Compound name
3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

674
Patents

303.112 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11928 168.3
[M+Na]+ 326.10122 178.6
[M-H]- 302.10472 173.1
[M+NH4]+ 321.14582 179.0
[M+K]+ 342.07516 170.8
[M+H-H2O]+ 286.10926 157.2
[M+HCOO]- 348.11020 188.5
[M+CH3COO]- 362.12585 178.9
[M+Na-2H]- 324.08667 175.5
[M]+ 303.11145 167.9
[M]- 303.11255 167.9
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