CID 24837828

Ergoline-8-propanamide, alpha,2-dicyano-6-methyl-, (8-beta)-

Structural Information

Molecular Formula
C20H21N5O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)C#N)CC(C#N)C(=O)N
InChI
InChI=1S/C20H21N5O/c1-25-10-11(5-12(8-21)20(23)26)6-14-13-3-2-4-16-19(13)15(7-18(14)25)17(9-22)24-16/h2-4,11-12,14,18,24H,5-7,10H2,1H3,(H2,23,26)/t11-,12?,14?,18-/m1/s1
InChIKey
CKCCVCJQHYBNNC-UAUJMCIKSA-N
Compound name
3-[(6aR,9S)-5-cyano-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.17462 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 206.2
[M+Na]+ 370.16384 213.4
[M+NH4]+ 365.20844 206.1
[M+K]+ 386.13778 203.2
[M-H]- 346.16734 195.6
[M+Na-2H]- 368.14929 200.7
[M]+ 347.17407 202.8
[M]- 347.17517 202.8
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.