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]+ 325.202276 179.6
[M+Na]+ 347.184218 186.4
[M-H]- 323.187724 178.2
[M+NH4]+ 342.228823 192.9
[M+K]+ 363.158158 176.7
[M+H-H2O]+ 307.192260 165.5
[M+HCOO]- 369.193201 185.8
[M+CH3COO]- 383.208851 185.6
[M+Na-2H]- 345.169666 178.3
[M]+ 324.19445142 168.6
[M]- 324.19554858 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.