CID 3043847

56220-89-4

Structural Information

Molecular Formula

C₁₈H₂₆N₂O

SMILES

CCC1=C2C(OCCN2C3=CC=CC=C31)(C)CCCNC

InChI

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

InChIKey

VNLUDHLMJQGKQM-UHFFFAOYSA-N

Compound name

3-(10-ethyl-1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	169.2
[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