CID 24841922

Brn 1541720

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCC2C(C1)CCCN2CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H22N2O2/c21-17-14-8-2-3-9-15(14)18(22)20(17)12-19-11-5-7-13-6-1-4-10-16(13)19/h2-3,8-9,13,16H,1,4-7,10-12H2
InChIKey
RYFRJGCNSLSIEB-UHFFFAOYSA-N
Compound name
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.7
[M+Na]+ 321.15734 184.4
[M+NH4]+ 316.20194 181.3
[M+K]+ 337.13128 178.4
[M-H]- 297.16084 176.0
[M+Na-2H]- 319.14279 175.9
[M]+ 298.16757 175.1
[M]- 298.16867 175.1
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.