CID 139595895

Schembl21634209

Structural Information

Molecular Formula

C₂₄H₃₄N₂O₂

SMILES

CCCC(=O)C1(C=CC=CC1(CC2=CC=C(C=C2)C)N(C)C)N3CCOCC3

InChI

InChI=1S/C24H34N2O2/c1-5-8-22(27)24(26-15-17-28-18-16-26)14-7-6-13-23(24,25(3)4)19-21-11-9-20(2)10-12-21/h6-7,9-14H,5,8,15-19H2,1-4H3

InChIKey

LGRVUKZIYBEIFI-UHFFFAOYSA-N

Compound name

1-[6-(dimethylamino)-6-[(4-methylphenyl)methyl]-1-morpholin-4-ylcyclohexa-2,4-dien-1-yl]butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 382.26202 Da
Monoisotopic Mass: 3.7
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]+	383.269296	196.4
[M+Na]+	405.251238	198.9
[M-H]-	381.254744	204.9
[M+NH4]+	400.295843	208.7
[M+K]+	421.225178	197.1
[M+H-H2O]+	365.259280	185.8
[M+HCOO]-	427.260221	211.7
[M+CH3COO]-	441.275871	225.6
[M+Na-2H]-	403.236686	197.5
[M]+	382.26147142	195.1
[M]-	382.26256858	195.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe