CID 165200

N(1)-methyl-2-lysergic acid diethylamide

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
InChI
InChI=1S/C21H27N3O/c1-5-24(6-2)21(25)15-10-17-16-8-7-9-18-20(16)14(12-22(18)3)11-19(17)23(4)13-15/h7-10,12,15,19H,5-6,11,13H2,1-4H3/t15-,19-/m1/s1
InChIKey
VQZYKSWQIQANKB-DNVCBOLYSA-N
Compound name
(6aR,9R)-N,N-diethyl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

21
Patents

337.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.0
[M+Na]+ 360.20464 192.4
[M-H]- 336.20814 188.9
[M+NH4]+ 355.24924 201.8
[M+K]+ 376.17858 187.5
[M+H-H2O]+ 320.21268 175.9
[M+HCOO]- 382.21362 200.6
[M+CH3COO]- 396.22927 194.8
[M+Na-2H]- 358.19009 186.2
[M]+ 337.21487 188.2
[M]- 337.21597 188.2
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.