CID 145712528

Chebi:145657

Structural Information

Molecular Formula
C21H24N3O
SMILES
CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3=C[N+]4=C(CCC4)C(=O)N3
InChI
InChI=1S/C21H23N3O/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/h4-6,8-9,13,23H,1,7,10-12H2,2-3H3/p+1
InChIKey
LRBCTERRSZUZIM-UHFFFAOYSA-O
Compound name
3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-5-ium-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.19193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19921 178.7
[M+Na]+ 357.18115 194.0
[M+NH4]+ 352.22575 186.8
[M+K]+ 373.15509 190.9
[M-H]- 333.18465 182.1
[M+Na-2H]- 355.16660 184.6
[M]+ 334.19138 182.2
[M]- 334.19248 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.