CID 24837836

Ergoline-8-propionamide, 2,3-dihydro-alpha-cyano-6-methyl-, (8-beta)-

Structural Information

Molecular Formula
C19H24N4O
SMILES
CN1C[C@@H](CC2[C@H]1CC3CNC4=CC=CC2=C34)CC(C#N)C(=O)N
InChI
InChI=1S/C19H24N4O/c1-23-10-11(5-12(8-20)19(21)24)6-15-14-3-2-4-16-18(14)13(9-22-16)7-17(15)23/h2-4,11-13,15,17,22H,5-7,9-10H2,1H3,(H2,21,24)/t11-,12?,13?,15?,17-/m1/s1
InChIKey
JDKIIQGLRZCQHS-OXGJKCRVSA-N
Compound name
3-[(6aR,9S)-7-methyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 179.6
[M+Na]+ 347.18422 186.4
[M-H]- 323.18772 178.2
[M+NH4]+ 342.22882 192.9
[M+K]+ 363.15816 176.7
[M+H-H2O]+ 307.19226 165.5
[M+HCOO]- 369.19320 185.8
[M+CH3COO]- 383.20885 185.6
[M+Na-2H]- 345.16967 178.3
[M]+ 324.19445 168.6
[M]- 324.19555 168.6
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.