CID 6450551

Axitinib

Structural Information

Molecular Formula
C22H18N4OS
SMILES
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKey
RITAVMQDGBJQJZ-FMIVXFBMSA-N
Compound name
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1048
References

44437
Patents

386.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12740 190.2
[M+Na]+ 409.10934 205.8
[M+NH4]+ 404.15394 197.4
[M+K]+ 425.08328 196.5
[M-H]- 385.11284 195.8
[M+Na-2H]- 407.09479 199.8
[M]+ 386.11957 194.5
[M]- 386.12067 194.5
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