CID 118614

2-(p-(diethylamino)benzylidene)-1,3-indandione

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-13H,3-4H2,1-2H3

InChIKey

QSKPRAZBWICXDM-UHFFFAOYSA-N

Compound name

2-[[4-(diethylamino)phenyl]methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 305.14157 Da
Monoisotopic Mass: 4.4
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]+	306.148846	172.4
[M+Na]+	328.130788	180.3
[M-H]-	304.134294	181.5
[M+NH4]+	323.175393	190.7
[M+K]+	344.104728	175.4
[M+H-H2O]+	288.138830	164.8
[M+HCOO]-	350.139771	196.3
[M+CH3COO]-	364.155421	211.7
[M+Na-2H]-	326.116236	173.6
[M]+	305.14102142	174.4
[M]-	305.14211858	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe