CID 10040237

N-methoxyspirobrassinol methyl ether

Structural Information

Molecular Formula
C13H16N2O2S2
SMILES
COC1C2(CN=C(S2)SC)C3=CC=CC=C3N1OC
InChI
InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3
InChIKey
KJSKSCBVIGFOKZ-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.0653 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07258 163.4
[M+Na]+ 319.05452 175.1
[M-H]- 295.05802 168.3
[M+NH4]+ 314.09912 185.0
[M+K]+ 335.02846 171.5
[M+H-H2O]+ 279.06256 158.9
[M+HCOO]- 341.06350 174.7
[M+CH3COO]- 355.07915 175.9
[M+Na-2H]- 317.03997 163.5
[M]+ 296.06475 170.2
[M]- 296.06585 170.2
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

No patent data available for this compound.