CID 160245

10-alpha-methoxydihydrolysergol

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN1C[C@@H](CC2([C@H]1CC3=CNC4=CC=CC2=C34)OC)CO
InChI
InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17?/m1/s1
InChIKey
JGQZSBLQHCTAJF-SCFZEWGBSA-N
Compound name
[(6aR,9R)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1
Patents

286.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.9
[M+Na]+ 309.15734 180.5
[M+NH4]+ 304.20194 178.2
[M+K]+ 325.13128 172.9
[M-H]- 285.16084 169.2
[M+Na-2H]- 307.14279 171.2
[M]+ 286.16757 170.2
[M]- 286.16867 170.2
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