CID 145712527

Chebi:145655

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3=CN4CCC[C@H]4C(=O)N3
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/h4-6,8-9,13,18,23H,1,7,10-12H2,2-3H3,(H,22,25)/t18-/m0/s1
InChIKey
ILMMVPUJKFMUIW-SFHVURJKSA-N
Compound name
(8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 186.3
[M+Na]+ 358.18899 193.8
[M-H]- 334.19249 188.4
[M+NH4]+ 353.23359 200.3
[M+K]+ 374.16293 185.6
[M+H-H2O]+ 318.19703 178.2
[M+HCOO]- 380.19797 198.3
[M+CH3COO]- 394.21362 194.8
[M+Na-2H]- 356.17444 185.5
[M]+ 335.19922 183.1
[M]- 335.20032 183.1
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.