CID 66663

90-93-7

Structural Information

Molecular Formula

C₂₁H₂₈N₂O

SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC

InChI

InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3

InChIKey

VYHBFRJRBHMIQZ-UHFFFAOYSA-N

Compound name

bis[4-(diethylamino)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 41082
Patents: 324.22015 Da
Monoisotopic Mass: 5.3
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]+	325.22743	182.6
[M+Na]+	347.20937	186.5
[M-H]-	323.21287	191.2
[M+NH4]+	342.25397	197.2
[M+K]+	363.18331	184.2
[M+H-H2O]+	307.21741	173.1
[M+HCOO]-	369.21835	207.0
[M+CH3COO]-	383.23400	223.9
[M+Na-2H]-	345.19482	183.4
[M]+	324.21960	186.1
[M]-	324.22070	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe