CID 165200

1-methyllysergic 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 182.6
[M+Na]+ 360.20464 195.6
[M+NH4]+ 355.24924 191.4
[M+K]+ 376.17858 189.4
[M-H]- 336.20814 185.5
[M+Na-2H]- 358.19009 185.2
[M]+ 337.21487 185.3
[M]- 337.21597 185.3
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