CID 10090485

Galunisertib

Structural Information

Molecular Formula
C22H19N5O
SMILES
CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N
InChI
InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKey
IVRXNBXKWIJUQB-UHFFFAOYSA-N
Compound name
4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

154
References

4032
Patents

369.15897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16625 188.0
[M+Na]+ 392.14819 203.6
[M+NH4]+ 387.19279 195.4
[M+K]+ 408.12213 199.5
[M-H]- 368.15169 193.4
[M+Na-2H]- 390.13364 196.0
[M]+ 369.15842 191.8
[M]- 369.15952 191.8
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

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