CID 27963

Brn 1541926

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₂

SMILES

CN(C)CCCC1=CCC23CC=CCC2(C1)C(=O)NC3=O

InChI

InChI=1S/C17H24N2O2/c1-19(2)11-5-6-13-7-10-16-8-3-4-9-17(16,12-13)15(21)18-14(16)20/h3-4,7H,5-6,8-12H2,1-2H3,(H,18,20,21)

InChIKey

KLZOZRRRHRHLAU-UHFFFAOYSA-N

Compound name

3-[3-(dimethylamino)propyl]-12-azatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.18378 Da
Monoisotopic Mass: 1.2
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]+	289.191056	168.2
[M+Na]+	311.172998	173.4
[M-H]-	287.176504	172.8
[M+NH4]+	306.217603	188.7
[M+K]+	327.146938	169.7
[M+H-H2O]+	271.181040	160.8
[M+HCOO]-	333.181981	185.1
[M+CH3COO]-	347.197631	204.0
[M+Na-2H]-	309.158446	170.6
[M]+	288.18323142	164.7
[M]-	288.18432858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.