CID 2819519

Maybridge4_002300

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S₂

SMILES

CN(C)C=NC1=C(SC=C1S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C10H14N2O4S2/c1-12(2)6-11-8-7(18(4,14)15)5-17-9(8)10(13)16-3/h5-6H,1-4H3

InChIKey

XJADXKLWKCJRDP-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylaminomethylideneamino)-4-methylsulfonylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 290.0395 Da
Monoisotopic Mass: 0.7
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]+	291.046776	164.8
[M+Na]+	313.028718	172.7
[M-H]-	289.032224	171.2
[M+NH4]+	308.073323	183.4
[M+K]+	329.002658	170.6
[M+H-H2O]+	273.036760	158.3
[M+HCOO]-	335.037701	181.0
[M+CH3COO]-	349.053351	205.3
[M+Na-2H]-	311.014166	164.8
[M]+	290.03895142	172.4
[M]-	290.04004858	172.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.