CID 114083

8-chloro-3-[(3-chloroquinolin-8-yl)oxy]-6-(hydroxymethyl)naphthalen-2-ol

Structural Information

Molecular Formula
C20H13Cl2NO3
SMILES
C1=CC2=CC(=CN=C2C(=C1)OC3=C(C=C4C(=C3)C=C(C=C4Cl)CO)O)Cl
InChI
InChI=1S/C20H13Cl2NO3/c21-14-6-12-2-1-3-18(20(12)23-9-14)26-19-7-13-4-11(10-24)5-16(22)15(13)8-17(19)25/h1-9,24-25H,10H2
InChIKey
JLLPFTPHTNXAHD-UHFFFAOYSA-N
Compound name
8-chloro-3-(3-chloroquinolin-8-yl)oxy-6-(hydroxymethyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

385.02725 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.03453 186.6
[M+Na]+ 408.01647 207.0
[M+NH4]+ 403.06107 196.0
[M+K]+ 423.99041 196.1
[M-H]- 384.01997 192.2
[M+Na-2H]- 406.00192 195.8
[M]+ 385.02670 192.2
[M]- 385.02780 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe