CID 3064752

3-(((8-beta)-6-methylergolin-8-yl)methyl)-2-oxazolidinone

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CCOC5=O
InChI
InChI=1S/C19H23N3O2/c1-21-10-12(11-22-5-6-24-19(22)23)7-15-14-3-2-4-16-18(14)13(9-20-16)8-17(15)21/h2-4,9,12,15,17,20H,5-8,10-11H2,1H3/t12-,15?,17-/m1/s1
InChIKey
IWAYTKOKZODAMR-XURPUJGUSA-N
Compound name
3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 177.2
[M+Na]+ 348.16824 184.5
[M-H]- 324.17174 180.9
[M+NH4]+ 343.21284 192.0
[M+K]+ 364.14218 179.0
[M+H-H2O]+ 308.17628 168.5
[M+HCOO]- 370.17722 187.5
[M+CH3COO]- 384.19287 186.3
[M+Na-2H]- 346.15369 176.4
[M]+ 325.17847 175.0
[M]- 325.17957 175.0
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