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]+ 354.217606 187.7
[M+Na]+ 376.199548 194.5
[M-H]- 352.203054 190.3
[M+NH4]+ 371.244153 203.1
[M+K]+ 392.173488 189.6
[M+H-H2O]+ 336.207590 179.0
[M+HCOO]- 398.208531 202.0
[M+CH3COO]- 412.224181 196.8
[M+Na-2H]- 374.184996 188.8
[M]+ 353.20978142 190.7
[M]- 353.21087858 190.7
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

No patent data available for this compound.