CID 3044866

Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-1,5,9-trimethyl-, maleate

Structural Information

Molecular Formula

C₁₈H₂₆N₂O

SMILES

CC1=C2C3=C(C(OCC3)(C)CCN(C)C)N(C2=CC=C1)C

InChI

InChI=1S/C18H26N2O/c1-13-7-6-8-15-16(13)14-9-12-21-18(2,10-11-19(3)4)17(14)20(15)5/h6-8H,9-12H2,1-5H3

InChIKey

RJAMPYUPRCUFPA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.2045 Da
Monoisotopic Mass: 2.7
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]+	287.211776	169.4
[M+Na]+	309.193718	178.7
[M-H]-	285.197224	175.8
[M+NH4]+	304.238323	189.7
[M+K]+	325.167658	176.2
[M+H-H2O]+	269.201760	162.3
[M+HCOO]-	331.202701	189.3
[M+CH3COO]-	345.218351	210.8
[M+Na-2H]-	307.179166	173.8
[M]+	286.20395142	174.2
[M]-	286.20504858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.