CID 24837824

Alpha-cyanoergoline-8-beta-propanamide

Structural Information

Molecular Formula
C18H20N4O
SMILES
C1[C@H](CN[C@H]2C1C3=C4C(=CNC4=CC=C3)C2)CC(C#N)C(=O)N
InChI
InChI=1S/C18H20N4O/c19-7-11(18(20)23)4-10-5-14-13-2-1-3-15-17(13)12(9-22-15)6-16(14)21-8-10/h1-3,9-11,14,16,21-22H,4-6,8H2,(H2,20,23)/t10-,11?,14?,16-/m1/s1
InChIKey
ZXLRSHXSCSEVCI-FKXQAQCOSA-N
Compound name
3-[(6aR,9S)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 180.0
[M+Na]+ 331.15292 189.3
[M+NH4]+ 326.19752 183.9
[M+K]+ 347.12686 181.2
[M-H]- 307.15642 173.3
[M+Na-2H]- 329.13837 177.8
[M]+ 308.16315 178.3
[M]- 308.16425 178.3
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.