CID 9911830

Tivozanib

Structural Information

Molecular Formula
C22H19ClN4O5
SMILES
CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl
InChI
InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
InChIKey
SPMVMDHWKHCIDT-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

121
References

11440
Patents

454.1044 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.11168 207.4
[M+Na]+ 477.09362 223.1
[M+NH4]+ 472.13822 213.0
[M+K]+ 493.06756 217.8
[M-H]- 453.09712 214.3
[M+Na-2H]- 475.07907 215.0
[M]+ 454.10385 211.9
[M]- 454.10495 211.9
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