CID 169146

30341-94-7

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC
InChI
InChI=1S/C18H22N2O2/c1-3-20-10-12(18(21)22-2)7-14-13-5-4-6-15-17(13)11(9-19-15)8-16(14)20/h4-6,9,12,14,16,19H,3,7-8,10H2,1-2H3/t12-,14?,16-/m1/s1
InChIKey
PNOZAMLZQWTXHK-QXDOLYAVSA-N
Compound name
methyl (6aR,9R)-7-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 171.5
[M+Na]+ 321.157338 178.7
[M-H]- 297.160844 172.6
[M+NH4]+ 316.201943 188.6
[M+K]+ 337.131278 173.1
[M+H-H2O]+ 281.165380 163.5
[M+HCOO]- 343.166321 184.1
[M+CH3COO]- 357.181971 181.1
[M+Na-2H]- 319.142786 173.9
[M]+ 298.16757142 171.2
[M]- 298.16866858 171.2
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

patents stripe