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
2
Annotation Hits

6
References

612
Patents

435.1583 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.165576 205.0
[M+Na]+ 458.147518 212.5
[M-H]- 434.151024 214.7
[M+NH4]+ 453.192123 213.3
[M+K]+ 474.121458 206.0
[M+H-H2O]+ 418.155560 192.4
[M+HCOO]- 480.156501 225.9
[M+CH3COO]- 494.172151 213.6
[M+Na-2H]- 456.132966 211.2
[M]+ 435.15775142 207.0
[M]- 435.15884858 207.0
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