CID 11807698

(-)-dioxibrassinin

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S₂

SMILES

CSC(=S)NCC1(C2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C11H12N2O2S2/c1-17-10(16)12-6-11(15)7-4-2-3-5-8(7)13-9(11)14/h2-5,15H,6H2,1H3,(H,12,16)(H,13,14)

InChIKey

DXLDPLVGKCAHPY-UHFFFAOYSA-N

Compound name

methyl N-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]carbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 268.03403 Da
Monoisotopic Mass: 1.5
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]+	269.04131	154.7
[M+Na]+	291.02325	163.0
[M-H]-	267.02675	154.8
[M+NH4]+	286.06785	173.9
[M+K]+	306.99719	156.9
[M+H-H2O]+	251.03129	150.5
[M+HCOO]-	313.03223	163.4
[M+CH3COO]-	327.04788	189.9
[M+Na-2H]-	289.00870	156.4
[M]+	268.03348	155.1
[M]-	268.03458	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe