CID 267400

Laurotetanin

Structural Information

Molecular Formula

C₁₉H₂₁NO₄

SMILES

COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC

InChI

InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3

InChIKey

GVVXPMORGFYVOO-UHFFFAOYSA-N

Compound name

1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 36
Patents: 327.14706 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.15434	176.6
[M+Na]+	350.13628	184.3
[M-H]-	326.13978	178.0
[M+NH4]+	345.18088	191.6
[M+K]+	366.11022	179.6
[M+H-H2O]+	310.14432	168.3
[M+HCOO]-	372.14526	188.7
[M+CH3COO]-	386.16091	186.0
[M+Na-2H]-	348.12173	181.2
[M]+	327.14651	178.5
[M]-	327.14761	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe