CID 22936529

417722-95-3

Structural Information

Molecular Formula
C24H18ClN3O5
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)OC4=CC=CC=C4)Cl
InChI
InChI=1S/C24H18ClN3O5/c1-31-22-13-20-16(12-17(22)23(26)29)21(9-10-27-20)32-15-7-8-19(18(25)11-15)28-24(30)33-14-5-3-2-4-6-14/h2-13H,1H3,(H2,26,29)(H,28,30)
InChIKey
BNMGPDZKAHVEQH-UHFFFAOYSA-N
Compound name
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

463.0935 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.10078 206.7
[M+Na]+ 486.08272 213.9
[M-H]- 462.08622 215.7
[M+NH4]+ 481.12732 214.0
[M+K]+ 502.05666 209.0
[M+H-H2O]+ 446.09076 195.8
[M+HCOO]- 508.09170 223.2
[M+CH3COO]- 522.10735 237.1
[M+Na-2H]- 484.06817 209.4
[M]+ 463.09295 212.2
[M]- 463.09405 212.2
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