CID 21122984

Dihydrolysergamide

Structural Information

Molecular Formula
C16H19N3O
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
InChI
InChI=1S/C16H19N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-4,7,10,12,14,18H,5-6,8H2,1H3,(H2,17,20)/t10-,12-,14-/m1/s1
InChIKey
OEVHDXFBOKGRLN-MPKXVKKWSA-N
Compound name
(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

269.1528 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 162.1
[M+Na]+ 292.142018 169.6
[M-H]- 268.145524 163.0
[M+NH4]+ 287.186623 179.9
[M+K]+ 308.115958 163.5
[M+H-H2O]+ 252.150060 154.5
[M+HCOO]- 314.151001 175.7
[M+CH3COO]- 328.166651 172.1
[M+Na-2H]- 290.127466 165.4
[M]+ 269.15225142 158.4
[M]- 269.15334858 158.4
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