CID 10446897

120014-30-4

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC

InChI

InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3

InChIKey

PGBZORAISITZTF-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 158
Patents: 289.1678 Da
Monoisotopic Mass: 2.3
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]+	290.17508	168.9
[M+Na]+	312.15702	174.6
[M-H]-	288.16052	173.1
[M+NH4]+	307.20162	185.3
[M+K]+	328.13096	170.4
[M+H-H2O]+	272.16506	161.3
[M+HCOO]-	334.16600	184.9
[M+CH3COO]-	348.18165	200.1
[M+Na-2H]-	310.14247	168.6
[M]+	289.16725	166.6
[M]-	289.16835	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe