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

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]+	283.056956	158.9
[M+Na]+	305.038898	170.7
[M-H]-	281.042404	162.6
[M+NH4]+	300.083503	180.4
[M+K]+	321.012838	166.4
[M+H-H2O]+	265.046940	155.0
[M+HCOO]-	327.047881	169.1
[M+CH3COO]-	341.063531	171.2
[M+Na-2H]-	303.024346	159.3
[M]+	282.04913142	163.7
[M]-	282.05022858	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.