CID 37180

Brn 1137067

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂

SMILES

C1CC2=C(C3=CC=CC=C3N2)C(=O)C1CN4CCOCC4

InChI

InChI=1S/C17H20N2O2/c20-17-12(11-19-7-9-21-10-8-19)5-6-15-16(17)13-3-1-2-4-14(13)18-15/h1-4,12,18H,5-11H2

InChIKey

BDAKJRQEUJHFLG-UHFFFAOYSA-N

Compound name

3-(morpholin-4-ylmethyl)-1,2,3,9-tetrahydrocarbazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.15247 Da
Monoisotopic Mass: 1.9
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]+	285.159746	165.3
[M+Na]+	307.141688	171.8
[M-H]-	283.145194	169.5
[M+NH4]+	302.186293	179.8
[M+K]+	323.115628	166.9
[M+H-H2O]+	267.149730	156.4
[M+HCOO]-	329.150671	178.6
[M+CH3COO]-	343.166321	175.2
[M+Na-2H]-	305.127136	168.5
[M]+	284.15192142	161.0
[M]-	284.15301858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe