CID 13932543

Lysergic acid methylpropylamide

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCCN(C)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C20H25N3O/c1-4-8-22(2)20(24)14-9-16-15-6-5-7-17-19(15)13(11-21-17)10-18(16)23(3)12-14/h5-7,9,11,14,18,21H,4,8,10,12H2,1-3H3/t14-,18-/m1/s1
InChIKey
CZRJGQXHVRNZRZ-RDTXWAMCSA-N
Compound name
(6aR,9R)-N,7-dimethyl-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

106
Patents

323.19977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 179.6
[M+Na]+ 346.18899 186.2
[M-H]- 322.19249 182.0
[M+NH4]+ 341.23359 196.1
[M+K]+ 362.16293 180.8
[M+H-H2O]+ 306.19703 170.9
[M+HCOO]- 368.19797 194.2
[M+CH3COO]- 382.21362 189.0
[M+Na-2H]- 344.17444 181.8
[M]+ 323.19922 180.4
[M]- 323.20032 180.4
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