CID 3066739

Brn 5776609

Structural Information

Molecular Formula

C₂₃H₂₆N₂O₃

SMILES

CC1CC2=C(C(N1CC3CO3)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C25

InChI

InChI=1S/C23H26N2O3/c1-14-10-18-17-6-4-5-7-19(17)24-22(18)23(25(14)12-16-13-28-16)15-8-9-20(26-2)21(11-15)27-3/h4-9,11,14,16,23-24H,10,12-13H2,1-3H3

InChIKey

XPDFHRHIAGXKSC-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-3-methyl-2-(oxiran-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.19434 Da
Monoisotopic Mass: 3.7
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]+	379.201616	194.3
[M+Na]+	401.183558	205.0
[M-H]-	377.187064	203.0
[M+NH4]+	396.228163	201.2
[M+K]+	417.157498	198.7
[M+H-H2O]+	361.191600	185.1
[M+HCOO]-	423.192541	209.8
[M+CH3COO]-	437.208191	203.7
[M+Na-2H]-	399.169006	195.1
[M]+	378.19379142	200.2
[M]-	378.19488858	200.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.