CID 10265811

N-methoxyspirobrassinol

Structural Information

Molecular Formula
C12H14N2O2S2
SMILES
CON1C(C2(CN=C(S2)SC)C3=CC=CC=C31)O
InChI
InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3
InChIKey
YMIMEAOCSJOCSI-UHFFFAOYSA-N
Compound name
1-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

282.04968 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05696 158.9
[M+Na]+ 305.03890 170.7
[M-H]- 281.04240 162.6
[M+NH4]+ 300.08350 180.4
[M+K]+ 321.01284 166.4
[M+H-H2O]+ 265.04694 155.0
[M+HCOO]- 327.04788 169.1
[M+CH3COO]- 341.06353 171.2
[M+Na-2H]- 303.02435 159.3
[M]+ 282.04913 163.7
[M]- 282.05023 163.7
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

No patent data available for this compound.