CID 13332617

Ns00116622

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=C2C=CC3=CC=CC=C3C2=NC4=C1C(C(C=C4)O)O
InChI
InChI=1S/C18H15NO2/c1-10-12-7-6-11-4-2-3-5-13(11)17(12)19-14-8-9-15(20)18(21)16(10)14/h2-9,15,18,20-21H,1H3
InChIKey
PIMRBXVJGSKTOZ-UHFFFAOYSA-N
Compound name
7-methyl-8,9-dihydronaphtho[1,2-b]quinoline-8,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.117576 162.1
[M+Na]+ 300.099518 173.1
[M-H]- 276.103024 165.4
[M+NH4]+ 295.144123 179.2
[M+K]+ 316.073458 166.4
[M+H-H2O]+ 260.107560 154.2
[M+HCOO]- 322.108501 178.7
[M+CH3COO]- 336.124151 173.7
[M+Na-2H]- 298.084966 170.3
[M]+ 277.10975142 162.9
[M]- 277.11084858 162.9
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

No patent data available for this compound.