CID 3039341

12-methoxylysergic acid diethylamide

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=C3C(=C(C=C4)OC)C2=C1)C
InChI
InChI=1S/C21H27N3O2/c1-5-24(6-2)21(25)14-9-15-17(23(3)12-14)10-13-11-22-16-7-8-18(26-4)20(15)19(13)16/h7-9,11,14,17,22H,5-6,10,12H2,1-4H3/t14-,17-/m1/s1
InChIKey
AYFDTTGGASATFS-RHSMWYFYSA-N
Compound name
(6aR,9R)-N,N-diethyl-1-methoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 185.9
[M+Na]+ 376.19955 197.8
[M+NH4]+ 371.24415 193.7
[M+K]+ 392.17349 192.5
[M-H]- 352.20305 187.8
[M+Na-2H]- 374.18500 187.5
[M]+ 353.20978 188.0
[M]- 353.21088 188.0
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

No patent data available for this compound.