CID 135908617

Osoresnontrine

Structural Information

Molecular Formula
C16H17N5O2
SMILES
C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChI
InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKey
BZTIJCSHNVZMES-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

19
Patents

311.1382 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 172.0
[M+Na]+ 334.12742 187.5
[M+NH4]+ 329.17202 178.2
[M+K]+ 350.10136 182.6
[M-H]- 310.13092 176.2
[M+Na-2H]- 332.11287 179.6
[M]+ 311.13765 175.3
[M]- 311.13875 175.3
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