CID 3064608

105115-80-8

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₃

SMILES

CN1C[C@@H](CC2([C@H]1CC3=CN(C4=CC=CC2=C34)CO)OC)CO

InChI

InChI=1S/C18H24N2O3/c1-19-8-12(10-21)7-18(23-2)14-4-3-5-15-17(14)13(6-16(18)19)9-20(15)11-22/h3-5,9,12,16,21-22H,6-8,10-11H2,1-2H3/t12-,16-,18?/m1/s1

InChIKey

HRGNTZRYCNRYJR-FOKFDTGNSA-N

Compound name

[(6aR,9R)-4-(hydroxymethyl)-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.17868 Da
Monoisotopic Mass: 0.7
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]+	317.185956	176.0
[M+Na]+	339.167898	184.6
[M-H]-	315.171404	176.3
[M+NH4]+	334.212503	194.1
[M+K]+	355.141838	179.1
[M+H-H2O]+	299.175940	168.3
[M+HCOO]-	361.176881	187.9
[M+CH3COO]-	375.192531	185.6
[M+Na-2H]-	337.153346	179.7
[M]+	316.17813142	177.5
[M]-	316.17922858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.