CID 638251

5143-94-2

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC
InChI
InChI=1S/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3/t11-,13+,15+/m0/s1
InChIKey
OSKZYLPFYNARRX-NJZAAPMLSA-N
Compound name
methyl (6aR,9S,10aR)-7-methyl-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

1
References

61
Patents

284.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.1
[M+Na]+ 307.14169 178.8
[M+NH4]+ 302.18629 174.9
[M+K]+ 323.11563 173.5
[M-H]- 283.14519 167.5
[M+Na-2H]- 305.12714 168.1
[M]+ 284.15192 168.2
[M]- 284.15302 168.2
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