CID 119025985

1-propionyl-lysergic acid diethylamide

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCC(=O)N1C=C2C[C@@H]3C(=C[C@H](CN3C)C(=O)N(CC)CC)C4=C2C1=CC=C4
InChI
InChI=1S/C23H29N3O2/c1-5-21(27)26-14-15-12-20-18(17-9-8-10-19(26)22(15)17)11-16(13-24(20)4)23(28)25(6-2)7-3/h8-11,14,16,20H,5-7,12-13H2,1-4H3/t16-,20-/m1/s1
InChIKey
JSMQOVGXBIDBIE-OXQOHEQNSA-N
Compound name
(6aR,9R)-N,N-diethyl-7-methyl-4-propanoyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

379.22598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 193.0
[M+Na]+ 402.21520 204.7
[M+NH4]+ 397.25980 200.4
[M+K]+ 418.18914 199.4
[M-H]- 378.21870 194.9
[M+Na-2H]- 400.20065 194.3
[M]+ 379.22543 195.1
[M]- 379.22653 195.1
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