CID 3053662

Brn 0628732

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₃

SMILES

COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H24N2O3/c1-24-14-5-6-17-16(12-14)15-8-9-22-18(21(15)23-17)10-13-4-7-19(25-2)20(11-13)26-3/h4-7,11-12,18,22-23H,8-10H2,1-3H3

InChIKey

CSBAVYNEVHLVAF-UHFFFAOYSA-N

Compound name

1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.17868 Da
Monoisotopic Mass: 3.4
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]+	353.185956	185.1
[M+Na]+	375.167898	193.3
[M-H]-	351.171404	188.6
[M+NH4]+	370.212503	198.1
[M+K]+	391.141838	186.7
[M+H-H2O]+	335.175940	175.9
[M+HCOO]-	397.176881	200.6
[M+CH3COO]-	411.192531	194.4
[M+Na-2H]-	373.153346	187.1
[M]+	352.17813142	186.9
[M]-	352.17922858	186.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.