CID 68289010

Savolitinib

Structural Information

Molecular Formula
C17H15N9
SMILES
C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C
InChI
InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
InChIKey
XYDNMOZJKOGZLS-NSHDSACASA-N
Compound name
3-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

70
References

448
Patents

345.14505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15233 174.4
[M+Na]+ 368.13427 191.2
[M+NH4]+ 363.17887 179.8
[M+K]+ 384.10821 190.8
[M-H]- 344.13777 176.2
[M+Na-2H]- 366.11972 183.1
[M]+ 345.14450 177.3
[M]- 345.14560 177.3
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