CID 200628

Lysergic acid pyrrolidate

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N5CCCC5
InChI
InChI=1S/C20H23N3O/c1-22-12-14(20(24)23-7-2-3-8-23)9-16-15-5-4-6-17-19(15)13(11-21-17)10-18(16)22/h4-6,9,11,14,18,21H,2-3,7-8,10,12H2,1H3/t14-,18-/m1/s1
InChIKey
SETDYMMXQQXCRP-RDTXWAMCSA-N
Compound name
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

321.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 177.7
[M+Na]+ 344.17332 184.3
[M-H]- 320.17682 180.8
[M+NH4]+ 339.21792 193.8
[M+K]+ 360.14726 177.4
[M+H-H2O]+ 304.18136 168.6
[M+HCOO]- 366.18230 189.0
[M+CH3COO]- 380.19795 186.5
[M+Na-2H]- 342.15877 176.6
[M]+ 321.18355 174.1
[M]- 321.18465 174.1
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