CID 12940526

5878-43-3

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O
InChI
InChI=1S/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12-,14-/m1/s1
InChIKey
ORBSYPFBZQJNJE-MPKXVKKWSA-N
Compound name
(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

270.13684 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 161.7
[M+Na]+ 293.12606 174.0
[M+NH4]+ 288.17066 170.3
[M+K]+ 309.10000 169.2
[M-H]- 269.12956 162.5
[M+Na-2H]- 291.11151 163.4
[M]+ 270.13629 163.5
[M]- 270.13739 163.5
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