CID 14585498

Cyclobrassinin sulfoxide

Structural Information

Molecular Formula
C11H10N2OS2
SMILES
CS(=O)C1=NCC2=C(S1)NC3=CC=CC=C23
InChI
InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
InChIKey
YUXKTUVIOWXKPA-UHFFFAOYSA-N
Compound name
2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

250.02345 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03073 147.9
[M+Na]+ 273.01267 159.8
[M-H]- 249.01617 150.1
[M+NH4]+ 268.05727 167.3
[M+K]+ 288.98661 153.9
[M+H-H2O]+ 233.02071 143.2
[M+HCOO]- 295.02165 157.6
[M+CH3COO]- 309.03730 160.3
[M+Na-2H]- 270.99812 151.3
[M]+ 250.02290 151.1
[M]- 250.02400 151.1
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