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 186.4
[M+Na]+ 357.18115 195.5
[M-H]- 333.18465 189.7
[M+NH4]+ 352.22575 200.4
[M+K]+ 373.15509 181.7
[M+H-H2O]+ 317.18919 181.0
[M+HCOO]- 379.19013 201.0
[M+CH3COO]- 393.20578 200.2
[M+Na-2H]- 355.16660 190.4
[M]+ 334.19138 184.8
[M]- 334.19248 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

literature stripe

Patent stripe

No patent data available for this compound.