CID 118513932

Risdiplam

Structural Information

Molecular Formula
C22H23N7O
SMILES
CC1=CC(=NN2C1=NC(=C2)C)C3=CC(=O)N4C=C(C=CC4=N3)N5CCNC6(C5)CC6
InChI
InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3
InChIKey
ASKZRYGFUPSJPN-UHFFFAOYSA-N
Compound name
7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

98
References

434
Patents

401.1964 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20368 204.2
[M+Na]+ 424.18562 223.0
[M+NH4]+ 419.23022 212.4
[M+K]+ 440.15956 215.5
[M-H]- 400.18912 215.1
[M+Na-2H]- 422.17107 214.3
[M]+ 401.19585 211.4
[M]- 401.19695 211.4
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