CID 390678

Nsc688314

Structural Information

Molecular Formula
C19H25N2O2
SMILES
C[N+]12CCCCC1C(CCC2)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H25N2O2/c1-21-11-5-4-10-17(21)14(7-6-12-21)13-20-18(22)15-8-2-3-9-16(15)19(20)23/h2-3,8-9,14,17H,4-7,10-13H2,1H3/q+1
InChIKey
UMWVQFMDELFMHV-UHFFFAOYSA-N
Compound name
2-[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

313.1916 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19888 177.3
[M+Na]+ 336.18082 182.7
[M-H]- 312.18432 181.8
[M+NH4]+ 331.22542 194.3
[M+K]+ 352.15476 171.5
[M+H-H2O]+ 296.18886 170.4
[M+HCOO]- 358.18980 188.9
[M+CH3COO]- 372.20545 199.5
[M+Na-2H]- 334.16627 179.8
[M]+ 313.19105 170.0
[M]- 313.19215 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.