CID 9818279

4991w93

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CN(C)C1CC(C1)C2=CNC3=C2C=C(C=C3)C[C@H]4COC(=O)N4
InChI
InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12?,13-,14?/m0/s1
InChIKey
JLDUTSKKXXJGGG-MOKVOYLWSA-N
Compound name
(4S)-4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

313.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 173.7
[M+Na]+ 336.16824 179.8
[M+NH4]+ 331.21284 176.7
[M+K]+ 352.14218 179.9
[M-H]- 312.17174 175.6
[M+Na-2H]- 334.15369 175.1
[M]+ 313.17847 173.7
[M]- 313.17957 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe