CID 3078864

123063-92-3

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₃

SMILES

COC1=CC2=C(C=C1)N(C3=C2CCC(C3)CN4CCOCC4)CCO

InChI

InChI=1S/C20H28N2O3/c1-24-16-3-5-19-18(13-16)17-4-2-15(12-20(17)22(19)6-9-23)14-21-7-10-25-11-8-21/h3,5,13,15,23H,2,4,6-12,14H2,1H3

InChIKey

BHKHDOPEHAKJRZ-UHFFFAOYSA-N

Compound name

2-[6-methoxy-2-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.21 Da
Monoisotopic Mass: 1.8
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]+	345.217276	183.3
[M+Na]+	367.199218	188.8
[M-H]-	343.202724	187.3
[M+NH4]+	362.243823	195.6
[M+K]+	383.173158	184.5
[M+H-H2O]+	327.207260	173.9
[M+HCOO]-	389.208201	195.4
[M+CH3COO]-	403.223851	191.9
[M+Na-2H]-	365.184666	184.3
[M]+	344.20945142	182.4
[M]-	344.21054858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.