CID 198149

Einecs 252-405-9

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CN1C[C@@H](CC2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)CO
InChI
InChI=1S/C18H24N2O2/c1-19-10-13-7-16-18(22-3,8-12(11-21)9-20(16)2)14-5-4-6-15(19)17(13)14/h4-6,10,12,16,21H,7-9,11H2,1-3H3/t12-,16-,18?/m1/s1
InChIKey
LVXVIPZBNJSUKL-FOKFDTGNSA-N
Compound name
[(6aR,9R)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

96
Patents

300.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 173.0
[M+Na]+ 323.17300 182.3
[M-H]- 299.17650 174.6
[M+NH4]+ 318.21760 192.5
[M+K]+ 339.14694 176.7
[M+H-H2O]+ 283.18104 164.9
[M+HCOO]- 345.18198 186.3
[M+CH3COO]- 359.19763 183.4
[M+Na-2H]- 321.15845 176.8
[M]+ 300.18323 174.7
[M]- 300.18433 174.7
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