CID 8026773

4-(propan-2-yl)-n-propylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₂H₁₉NO₂S

SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C12H19NO2S/c1-4-9-13-16(14,15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9H2,1-3H3

InChIKey

BLWGWSLJTGXQQU-UHFFFAOYSA-N

Compound name

4-propan-2-yl-N-propylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.11365 Da
Monoisotopic Mass: 2.9
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]+	242.120926	153.8
[M+Na]+	264.102868	160.6
[M-H]-	240.106374	157.5
[M+NH4]+	259.147473	171.8
[M+K]+	280.076808	157.4
[M+H-H2O]+	224.110910	147.6
[M+HCOO]-	286.111851	171.2
[M+CH3COO]-	300.127501	193.7
[M+Na-2H]-	262.088316	156.5
[M]+	241.11310142	156.9
[M]-	241.11419858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe