CID 13787370

Dtxsid801020972

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CN1C[C@@H](C[C@]2([C@H]1CC3=CNC4=CC=CC2=C34)OC)C(=O)OC
InChI
InChI=1S/C18H22N2O3/c1-20-10-12(17(21)22-2)8-18(23-3)13-5-4-6-14-16(13)11(9-19-14)7-15(18)20/h4-6,9,12,15,19H,7-8,10H2,1-3H3/t12-,15-,18+/m1/s1
InChIKey
SCWPBCNOFOVVGZ-DWQUBVKVSA-N
Compound name
methyl (6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 174.7
[M+Na]+ 337.15228 182.9
[M-H]- 313.15578 176.1
[M+NH4]+ 332.19688 193.2
[M+K]+ 353.12622 178.1
[M+H-H2O]+ 297.16032 166.7
[M+HCOO]- 359.16126 187.4
[M+CH3COO]- 373.17691 184.6
[M+Na-2H]- 335.13773 178.4
[M]+ 314.16251 176.2
[M]- 314.16361 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe