CID 101734681

Chebi:145675

Structural Information

Molecular Formula

C₂₁H₂₅N₃O

SMILES

CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3=NC(=C4CCCN4C3)O

InChI

InChI=1S/C21H25N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-6,8-9,23,25H,1,7,10-13H2,2-3H3

InChIKey

IBZVLSUKARHHFO-UHFFFAOYSA-N

Compound name

3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.19977 Da
Monoisotopic Mass: 4.1
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]+	336.207046	185.8
[M+Na]+	358.188988	194.1
[M-H]-	334.192494	188.4
[M+NH4]+	353.233593	200.1
[M+K]+	374.162928	186.4
[M+H-H2O]+	318.197030	177.8
[M+HCOO]-	380.197971	199.2
[M+CH3COO]-	394.213621	194.9
[M+Na-2H]-	356.174436	186.1
[M]+	335.19922142	184.8
[M]-	335.20031858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.