CID 2298575

Brn 4886174

Structural Information

Molecular Formula

C₂₁H₂₇N₃O₂

SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C3N4CC5(CN3CC(C4)(C5=O)C)C

InChI

InChI=1S/C21H27N3O2/c1-13-17(15-8-14(26-5)6-7-16(15)22(13)4)18-23-9-20(2)10-24(18)12-21(3,11-23)19(20)25/h6-8,18H,9-12H2,1-5H3

InChIKey

OEEJEIOABUQVPK-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.21033 Da
Monoisotopic Mass: 2.2
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]+	354.217606	185.5
[M+Na]+	376.199548	192.9
[M-H]-	352.203054	182.3
[M+NH4]+	371.244153	206.5
[M+K]+	392.173488	187.1
[M+H-H2O]+	336.207590	174.0
[M+HCOO]-	398.208531	189.1
[M+CH3COO]-	412.224181	192.8
[M+Na-2H]-	374.184996	191.3
[M]+	353.20978142	191.7
[M]-	353.21087858	191.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.