CID 114083

63716-61-0

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 183.2
[M+Na]+ 408.01647 196.1
[M-H]- 384.01997 188.1
[M+NH4]+ 403.06107 196.2
[M+K]+ 423.99041 187.8
[M+H-H2O]+ 368.02451 175.5
[M+HCOO]- 430.02545 192.8
[M+CH3COO]- 444.04110 193.8
[M+Na-2H]- 406.00192 188.9
[M]+ 385.02670 190.5
[M]- 385.02780 190.5
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