CID 134553

Lysergic acid alpha-hydroxyethylamide

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC(NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
InChI
InChI=1S/C18H21N3O2/c1-10(22)20-18(23)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)21(2)9-12/h3-6,8,10,12,16,19,22H,7,9H2,1-2H3,(H,20,23)/t10?,12-,16-/m1/s1
InChIKey
WYTJZJPVCDWOOI-WPJLSRQMSA-N
Compound name
(6aR,9R)-N-(1-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

59
Patents

311.1634 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.170676 172.7
[M+Na]+ 334.152618 179.3
[M-H]- 310.156124 172.9
[M+NH4]+ 329.197223 188.3
[M+K]+ 350.126558 173.6
[M+H-H2O]+ 294.160660 165.2
[M+HCOO]- 356.161601 185.3
[M+CH3COO]- 370.177251 181.7
[M+Na-2H]- 332.138066 175.7
[M]+ 311.16285142 171.0
[M]- 311.16394858 171.0
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