CID 161661

Methyl 6-nor-9,10-dihydrolysergate

Structural Information

Molecular Formula
C16H18N2O2
SMILES
COC(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
InChI
InChI=1S/C16H18N2O2/c1-20-16(19)10-5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18-8-10/h2-4,7,10,12,14,17-18H,5-6,8H2,1H3/t10-,12?,14-/m1/s1
InChIKey
ORIBUSCBDFDAIQ-GYYYEOQOSA-N
Compound name
methyl (6aR,9R)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

270.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 161.8
[M+Na]+ 293.12606 173.8
[M+NH4]+ 288.17066 170.4
[M+K]+ 309.10000 168.8
[M-H]- 269.12956 162.6
[M+Na-2H]- 291.11151 163.7
[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