CID 3813192

Maybridge1_003040

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂S

SMILES

CN(C)C=C(C#N)S(=O)(=O)C(=CN(C)C)C#N

InChI

InChI=1S/C10H14N4O2S/c1-13(2)7-9(5-11)17(15,16)10(6-12)8-14(3)4/h7-8H,1-4H3

InChIKey

QFLHFTZMKWGBAF-UHFFFAOYSA-N

Compound name

2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 254.08374 Da
Monoisotopic Mass: 0.0
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]+	255.091016	177.1
[M+Na]+	277.072958	183.8
[M-H]-	253.076464	181.2
[M+NH4]+	272.117563	188.7
[M+K]+	293.046898	184.9
[M+H-H2O]+	237.081000	161.5
[M+HCOO]-	299.081941	185.2
[M+CH3COO]-	313.097591	228.2
[M+Na-2H]-	275.058406	174.6
[M]+	254.08319142	171.1
[M]-	254.08428858	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.