CID 11544639

895155-57-4

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCOCC4)C

InChI

InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3

InChIKey

NQTMRZNYLIGQCF-UHFFFAOYSA-N

Compound name

[1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 34
Patents: 339.21982 Da
Monoisotopic Mass: 4.3
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]+	340.227096	181.3
[M+Na]+	362.209038	190.9
[M-H]-	338.212544	191.7
[M+NH4]+	357.253643	194.4
[M+K]+	378.182978	188.1
[M+H-H2O]+	322.217080	174.4
[M+HCOO]-	384.218021	197.5
[M+CH3COO]-	398.233671	192.2
[M+Na-2H]-	360.194486	182.6
[M]+	339.21927142	185.9
[M]-	339.22036858	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe