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]+ 336.207046 186.3
[M+Na]+ 358.188988 193.8
[M-H]- 334.192494 188.4
[M+NH4]+ 353.233593 200.3
[M+K]+ 374.162928 185.6
[M+H-H2O]+ 318.197030 178.2
[M+HCOO]- 380.197971 198.3
[M+CH3COO]- 394.213621 194.8
[M+Na-2H]- 356.174436 185.5
[M]+ 335.19922142 183.1
[M]- 335.20031858 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.