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 172.0
[M+Na]+ 321.15734 177.3
[M-H]- 297.16084 176.2
[M+NH4]+ 316.20194 187.7
[M+K]+ 337.13128 171.8
[M+H-H2O]+ 281.16538 162.6
[M+HCOO]- 343.16632 184.5
[M+CH3COO]- 357.18197 181.1
[M+Na-2H]- 319.14279 171.7
[M]+ 298.16757 165.9
[M]- 298.16867 165.9
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.