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 183.0
[M+Na]+ 358.18899 194.5
[M+NH4]+ 353.23359 189.8
[M+K]+ 374.16293 191.2
[M-H]- 334.19249 184.2
[M+Na-2H]- 356.17444 186.0
[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

literature stripe

Patent stripe

No patent data available for this compound.