CID 3039392

N-butyllysergamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.7
[M+Na]+ 346.18899 190.9
[M+NH4]+ 341.23359 187.0
[M+K]+ 362.16293 184.4
[M-H]- 322.19249 180.8
[M+Na-2H]- 344.17444 180.9
[M]+ 323.19922 180.9
[M]- 323.20032 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.