CID 57519748

Samotolisib

Structural Information

Molecular Formula
C23H26N4O3
SMILES
C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC
InChI
InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
InChIKey
ACCFLVVUVBJNGT-AWEZNQCLSA-N
Compound name
8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

633
Patents

406.2005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 200.7
[M+Na]+ 429.18972 216.1
[M+NH4]+ 424.23432 206.1
[M+K]+ 445.16366 211.5
[M-H]- 405.19322 202.4
[M+Na-2H]- 427.17517 206.0
[M]+ 406.19995 203.5
[M]- 406.20105 203.5
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