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 185.8
[M+Na]+ 358.18899 194.1
[M-H]- 334.19249 188.4
[M+NH4]+ 353.23359 200.1
[M+K]+ 374.16293 186.4
[M+H-H2O]+ 318.19703 177.8
[M+HCOO]- 380.19797 199.2
[M+CH3COO]- 394.21362 194.9
[M+Na-2H]- 356.17444 186.1
[M]+ 335.19922 184.8
[M]- 335.20032 184.8
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.