CID 199478

D-lysergic acid dimethylamide

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C)C
InChI
InChI=1S/C18H21N3O/c1-20(2)18(22)12-7-14-13-5-4-6-15-17(13)11(9-19-15)8-16(14)21(3)10-12/h4-7,9,12,16,19H,8,10H2,1-3H3/t12-,16-/m1/s1
InChIKey
FWHSERNVTGTIJE-MLGOLLRUSA-N
Compound name
(6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

85
Patents

295.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.175736 170.3
[M+Na]+ 318.157678 177.9
[M-H]- 294.161184 173.1
[M+NH4]+ 313.202283 188.0
[M+K]+ 334.131618 172.9
[M+H-H2O]+ 278.165720 162.0
[M+HCOO]- 340.166661 185.7
[M+CH3COO]- 354.182311 180.6
[M+Na-2H]- 316.143126 173.6
[M]+ 295.16791142 170.5
[M]- 295.16900858 170.5
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