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: 1
Patents: 250.02345 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.030726	147.9
[M+Na]+	273.012668	159.8
[M-H]-	249.016174	150.1
[M+NH4]+	268.057273	167.3
[M+K]+	288.986608	153.9
[M+H-H2O]+	233.020710	143.2
[M+HCOO]-	295.021651	157.6
[M+CH3COO]-	309.037301	160.3
[M+Na-2H]-	270.998116	151.3
[M]+	250.02290142	151.1
[M]-	250.02399858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe