CID 11380859

Wasalexin b

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S₂

SMILES

CON1C2=CC=CC=C2/C(=C/N=C(SC)SC)/C1=O

InChI

InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8-

InChIKey

JJQPWCPYNJNWID-NTMALXAHSA-N

Compound name

(3Z)-3-[[bis(methylsulfanyl)methylideneamino]methylidene]-1-methoxyindol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2
Patents: 294.04968 Da
Monoisotopic Mass: 2.8
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]+	295.05696	167.2
[M+Na]+	317.03890	177.0
[M+NH4]+	312.08350	175.1
[M+K]+	333.01284	168.4
[M-H]-	293.04240	168.8
[M+Na-2H]-	315.02435	169.5
[M]+	294.04913	169.8
[M]-	294.05023	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe