CID 5388521

N7ze9b5hyb

Structural Information

Molecular Formula

C₁₈H₁₇NO

SMILES

CN(C)C1=CC=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO/c1-19(2)16-9-7-13(8-10-16)11-15-12-14-5-3-4-6-17(14)18(15)20/h3-11H,12H2,1-2H3/b15-11+

InChIKey

YCKZAOPKIOWTEH-RVDMUPIBSA-N

Compound name

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 1992
Patents: 263.131 Da
Monoisotopic Mass: 3.9
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]+	264.13828	161.2
[M+Na]+	286.12022	169.0
[M-H]-	262.12372	170.4
[M+NH4]+	281.16482	181.2
[M+K]+	302.09416	164.5
[M+H-H2O]+	246.12826	153.9
[M+HCOO]-	308.12920	185.5
[M+CH3COO]-	322.14485	203.3
[M+Na-2H]-	284.10567	164.1
[M]+	263.13045	161.4
[M]-	263.13155	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe