CID 54247706

71156-01-9

Structural Information

Molecular Formula

C₂₁H₂₃NO

SMILES

CCN(CC)C1=CC(=C(C=C1)C=C2CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H23NO/c1-4-22(5-2)19-11-10-16(15(3)12-19)13-18-14-17-8-6-7-9-20(17)21(18)23/h6-13H,4-5,14H2,1-3H3

InChIKey

QULWGLFNOGWMJE-UHFFFAOYSA-N

Compound name

2-[[4-(diethylamino)-2-methylphenyl]methylidene]-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 305.17798 Da
Monoisotopic Mass: 5.0
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]+	306.185256	175.0
[M+Na]+	328.167198	182.4
[M-H]-	304.170704	184.0
[M+NH4]+	323.211803	193.5
[M+K]+	344.141138	177.2
[M+H-H2O]+	288.175240	167.3
[M+HCOO]-	350.176181	198.3
[M+CH3COO]-	364.191831	213.4
[M+Na-2H]-	326.152646	175.5
[M]+	305.17743142	176.6
[M]-	305.17852858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe