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]+ 299.175396 172.0
[M+Na]+ 321.157338 177.3
[M-H]- 297.160844 176.2
[M+NH4]+ 316.201943 187.7
[M+K]+ 337.131278 171.8
[M+H-H2O]+ 281.165380 162.6
[M+HCOO]- 343.166321 184.5
[M+CH3COO]- 357.181971 181.1
[M+Na-2H]- 319.142786 171.7
[M]+ 298.16757142 165.9
[M]- 298.16866858 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.