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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.8
[M+Na]+ 358.18899 195.1
[M+NH4]+ 353.23359 189.9
[M+K]+ 374.16293 191.7
[M-H]- 334.19249 184.5
[M+Na-2H]- 356.17444 186.8
[M]+ 335.19922 185.0
[M]- 335.20032 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.