CID 6424827

(s)-spirobrassinin

Structural Information

Molecular Formula
C11H10N2OS2
SMILES
CSC1=NCC2(S1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
FUHQSEOSBHASCH-UHFFFAOYSA-N
Compound name
2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

250.02345 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03073 151.6
[M+Na]+ 273.01267 163.8
[M-H]- 249.01617 155.3
[M+NH4]+ 268.05727 174.2
[M+K]+ 288.98661 158.6
[M+H-H2O]+ 233.02071 147.6
[M+HCOO]- 295.02165 162.2
[M+CH3COO]- 309.03730 164.3
[M+Na-2H]- 270.99812 152.5
[M]+ 250.02290 153.6
[M]- 250.02400 153.6
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