CID 162146

Verruculotoxin

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN2C[C@@H](NC(=O)[C@@H]2C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-15-14-8-4-5-9-17(14)11-13(16-15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,18)/t13-,14-/m0/s1
InChIKey
CUANCTHYEDWUMU-KBPBESRZSA-N
Compound name
(3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 159.5
[M+Na]+ 267.14678 171.9
[M+NH4]+ 262.19138 168.1
[M+K]+ 283.12072 163.9
[M-H]- 243.15028 162.9
[M+Na-2H]- 265.13223 165.3
[M]+ 244.15701 162.1
[M]- 244.15811 162.1
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.