CID 10045570

Jwh-200

Structural Information

Molecular Formula

C₂₅H₂₄N₂O₂

SMILES

C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2

InChIKey

SZWYXJHTNGJPKU-UHFFFAOYSA-N

Compound name

[1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 6
References: 138
Patents: 384.18378 Da
Monoisotopic Mass: 4.2
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]+	385.191056	193.5
[M+Na]+	407.172998	199.4
[M-H]-	383.176504	201.9
[M+NH4]+	402.217603	203.6
[M+K]+	423.146938	193.4
[M+H-H2O]+	367.181040	181.8
[M+HCOO]-	429.181981	208.2
[M+CH3COO]-	443.197631	202.0
[M+Na-2H]-	405.158446	195.4
[M]+	384.18323142	192.7
[M]-	384.18432858	192.7

Literature stripe

literature stripe

Patent stripe

patents stripe