CID 3087293

Cis-(+-)-4-(4-methyl-6-((methylthio)methyl)-2-morpholinyl)-1h-indole

Structural Information

Molecular Formula
C15H20N2OS
SMILES
CN1C[C@@H](O[C@@H](C1)C2=C3C=CNC3=CC=C2)CSC
InChI
InChI=1S/C15H20N2OS/c1-17-8-11(10-19-2)18-15(9-17)13-4-3-5-14-12(13)6-7-16-14/h3-7,11,15-16H,8-10H2,1-2H3/t11-,15+/m1/s1
InChIKey
RQNIXOLCXPNVRS-ABAIWWIYSA-N
Compound name
(2R,6R)-2-(1H-indol-4-yl)-4-methyl-6-(methylsulfanylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.12964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13692 162.4
[M+Na]+ 299.11886 171.2
[M-H]- 275.12236 166.8
[M+NH4]+ 294.16346 177.9
[M+K]+ 315.09280 166.6
[M+H-H2O]+ 259.12690 155.2
[M+HCOO]- 321.12784 174.8
[M+CH3COO]- 335.14349 173.5
[M+Na-2H]- 297.10431 163.3
[M]+ 276.12909 163.5
[M]- 276.13019 163.5
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