CID 49779393

Chiauranib

Structural Information

Molecular Formula
C27H21N3O3
SMILES
COC1=CC2=NC=CC(=C2C=C1)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC=C5N
InChI
InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)
InChIKey
BRKWREZNORONDU-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

269
Patents

435.1583 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16558 207.7
[M+Na]+ 458.14752 225.6
[M+NH4]+ 453.19212 215.6
[M+K]+ 474.12146 215.2
[M-H]- 434.15102 216.7
[M+Na-2H]- 456.13297 218.7
[M]+ 435.15775 213.0
[M]- 435.15885 213.0
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