CID 155296190

Soxataltinib

Structural Information

Molecular Formula
C29H30N8O2
SMILES
CC1(CN(C1)C2=CN3C(=C(C=N3)C#N)C(=C2)C4=CN=C(C=C4)N5CC6CC(C5)N6CC7=CN=C(C=C7)OC)O
InChI
InChI=1S/C29H30N8O2/c1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19/h3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3
InChIKey
MVQAYSXDCGCOIE-UHFFFAOYSA-N
Compound name
6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

522.24915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.25643 217.8
[M+Na]+ 545.23837 223.2
[M-H]- 521.24187 215.8
[M+NH4]+ 540.28297 210.4
[M+K]+ 561.21231 219.7
[M+H-H2O]+ 505.24641 190.3
[M+HCOO]- 567.24735 216.1
[M+CH3COO]- 581.26300 218.1
[M+Na-2H]- 543.22382 217.1
[M]+ 522.24860 229.0
[M]- 522.24970 229.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.