CID 3088102

6-methyl-8-beta-(isoxazol-5-yl)ergoline

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=CC=NO5
InChI
InChI=1S/C18H19N3O/c1-21-10-12(17-5-6-20-22-17)7-14-13-3-2-4-15-18(13)11(9-19-15)8-16(14)21/h2-6,9,12,14,16,19H,7-8,10H2,1H3/t12-,14?,16-/m1/s1
InChIKey
XBXFSFKTKZNKTE-QXDOLYAVSA-N
Compound name
5-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.1528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 167.9
[M+Na]+ 316.14202 182.4
[M+NH4]+ 311.18662 177.4
[M+K]+ 332.11596 178.2
[M-H]- 292.14552 172.6
[M+Na-2H]- 314.12747 171.6
[M]+ 293.15225 171.4
[M]- 293.15335 171.4
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