CID 91810706

Sulfonyl axitinib

Structural Information

Molecular Formula
C22H18N4O3S
SMILES
CNC(=O)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4O3S/c1-23-22(27)18-7-2-3-8-21(18)30(28,29)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
UDHVZPNZJDOMGL-FMIVXFBMSA-N
Compound name
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfonyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11723 196.2
[M+Na]+ 441.09917 210.3
[M+NH4]+ 436.14377 201.4
[M+K]+ 457.07311 203.3
[M-H]- 417.10267 199.8
[M+Na-2H]- 439.08462 204.9
[M]+ 418.10940 199.6
[M]- 418.11050 199.6
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

patents stripe