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
7
Annotation Hits

122
References

11441
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 206.4
[M+Na]+ 477.09362 216.4
[M-H]- 453.09712 216.7
[M+NH4]+ 472.13822 214.3
[M+K]+ 493.06756 212.6
[M+H-H2O]+ 437.10166 195.8
[M+HCOO]- 499.10260 224.9
[M+CH3COO]- 513.11825 216.5
[M+Na-2H]- 475.07907 209.8
[M]+ 454.10385 217.1
[M]- 454.10495 217.1
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