CID 3043841

56220-85-0

Structural Information

Molecular Formula

C₁₈H₂₆N₂O

SMILES

CCCC1(C2=C(C3=CC=CC=C3N2CCO1)C)CCNC

InChI

InChI=1S/C18H26N2O/c1-4-9-18(10-11-19-3)17-14(2)15-7-5-6-8-16(15)20(17)12-13-21-18/h5-8,19H,4,9-13H2,1-3H3

InChIKey

MDMUXLSAMUQPDS-UHFFFAOYSA-N

Compound name

N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.2045 Da
Monoisotopic Mass: 2.8
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]+	287.211776	169.2
[M+Na]+	309.193718	177.5
[M-H]-	285.197224	173.7
[M+NH4]+	304.238323	188.5
[M+K]+	325.167658	173.5
[M+H-H2O]+	269.201760	161.8
[M+HCOO]-	331.202701	188.7
[M+CH3COO]-	345.218351	180.8
[M+Na-2H]-	307.179166	175.0
[M]+	286.20395142	172.3
[M]-	286.20504858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe