CID 3087264

Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCCCN1C=C2C[C@@H]3C(=C[C@H](CN3C)CO)C4=C2C1=CC=C4
InChI
InChI=1S/C20H26N2O/c1-3-4-8-22-12-15-10-19-17(9-14(13-23)11-21(19)2)16-6-5-7-18(22)20(15)16/h5-7,9,12,14,19,23H,3-4,8,10-11,13H2,1-2H3/t14-,19-/m1/s1
InChIKey
IOVBIZFHKHJTIA-AUUYWEPGSA-N
Compound name
[(6aR,9R)-4-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

310.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 176.6
[M+Na]+ 333.19372 190.8
[M+NH4]+ 328.23832 185.9
[M+K]+ 349.16766 183.4
[M-H]- 309.19722 179.0
[M+Na-2H]- 331.17917 179.3
[M]+ 310.20395 179.4
[M]- 310.20505 179.4
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

patents stripe