CID 11010948

4-methoxybrassinin

Structural Information

Molecular Formula

C₁₂H₁₄N₂OS₂

SMILES

COC1=CC=CC2=C1C(=CN2)CNC(=S)SC

InChI

InChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)

InChIKey

JVKOHVNWMQYCIN-UHFFFAOYSA-N

Compound name

methyl N-[(4-methoxy-1H-indol-3-yl)methyl]carbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 266.05475 Da
Monoisotopic Mass: 2.7
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]+	267.06203	156.8
[M+Na]+	289.04397	167.5
[M+NH4]+	284.08857	165.3
[M+K]+	305.01791	159.0
[M-H]-	265.04747	158.8
[M+Na-2H]-	287.02942	160.8
[M]+	266.05420	159.7
[M]-	266.05530	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe