CID 11640390

Linsitinib

Structural Information

Molecular Formula
C26H23N5O
SMILES
CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O
InChI
InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)
InChIKey
PKCDDUHJAFVJJB-UHFFFAOYSA-N
Compound name
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

124
References

3742
Patents

421.19025 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19753 206.5
[M+Na]+ 444.17947 215.9
[M-H]- 420.18297 214.6
[M+NH4]+ 439.22407 209.3
[M+K]+ 460.15341 209.8
[M+H-H2O]+ 404.18751 188.2
[M+HCOO]- 466.18845 221.0
[M+CH3COO]- 480.20410 214.0
[M+Na-2H]- 442.16492 208.9
[M]+ 421.18970 214.5
[M]- 421.19080 214.5
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