CID 3051299

67367-88-8

Structural Information

Molecular Formula

C₂₄H₃₁NO

SMILES

CC(C)N(CC1=CC=CC=C1)COCC2=C3CCCC3=CC4=C2CCC4

InChI

InChI=1S/C24H31NO/c1-18(2)25(15-19-8-4-3-5-9-19)17-26-16-24-22-12-6-10-20(22)14-21-11-7-13-23(21)24/h3-5,8-9,14,18H,6-7,10-13,15-17H2,1-2H3

InChIKey

PUUDOVQMIZVEOH-UHFFFAOYSA-N

Compound name

N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.24057 Da
Monoisotopic Mass: 5.7
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]+	350.247846	190.2
[M+Na]+	372.229788	193.3
[M-H]-	348.233294	198.7
[M+NH4]+	367.274393	208.7
[M+K]+	388.203728	188.8
[M+H-H2O]+	332.237830	182.2
[M+HCOO]-	394.238771	209.9
[M+CH3COO]-	408.254421	199.8
[M+Na-2H]-	370.215236	188.1
[M]+	349.24002142	190.8
[M]-	349.24111858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.