CID 15638959

156900-59-3

Structural Information

Molecular Formula

C₁₄H₁₉NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC=C=C(C)C

InChI

InChI=1S/C14H19NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h4,7-10,15H,5,11H2,1-3H3

InChIKey

LSSMBRKXEAJPMI-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.11365 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]+	266.12093	161.1
[M+Na]+	288.10287	167.7
[M-H]-	264.10637	164.5
[M+NH4]+	283.14747	178.0
[M+K]+	304.07681	162.8
[M+H-H2O]+	248.11091	154.7
[M+HCOO]-	310.11185	178.2
[M+CH3COO]-	324.12750	196.6
[M+Na-2H]-	286.08832	162.8
[M]+	265.11310	163.3
[M]-	265.11420	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.