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
4
Annotation Hits

1
References

100
Patents

300.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 173.0
[M+Na]+ 323.172998 182.3
[M-H]- 299.176504 174.6
[M+NH4]+ 318.217603 192.5
[M+K]+ 339.146938 176.7
[M+H-H2O]+ 283.181040 164.9
[M+HCOO]- 345.181981 186.3
[M+CH3COO]- 359.197631 183.4
[M+Na-2H]- 321.158446 176.8
[M]+ 300.18323142 174.7
[M]- 300.18432858 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