CID 216145

1h-indole, 2,3-dihydro-3-methyl-1-(3-(4-morpholinyl)propyl)-3-phenyl-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula

C₂₂H₂₈N₂O

SMILES

CC1(CN(C2=CC=CC=C21)CCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O/c1-22(19-8-3-2-4-9-19)18-24(21-11-6-5-10-20(21)22)13-7-12-23-14-16-25-17-15-23/h2-6,8-11H,7,12-18H2,1H3

InChIKey

DXVAQVUSQWWWLJ-UHFFFAOYSA-N

Compound name

4-[3-(3-methyl-3-phenyl-2H-indol-1-yl)propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.22015 Da
Monoisotopic Mass: 4.1
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]+	337.227426	184.1
[M+Na]+	359.209368	188.7
[M-H]-	335.212874	191.0
[M+NH4]+	354.253973	197.6
[M+K]+	375.183308	183.9
[M+H-H2O]+	319.217410	173.0
[M+HCOO]-	381.218351	198.4
[M+CH3COO]-	395.234001	192.9
[M+Na-2H]-	357.194816	185.8
[M]+	336.21960142	180.8
[M]-	336.22069858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.