CID 57019542

51954-81-5

Structural Information

Molecular Formula

C₁₄H₂₁NO₂S

SMILES

CCCN(CCC)C(=O)S(=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H21NO2S/c1-3-10-15(11-4-2)14(16)18(17)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

InChIKey

SRUUWJFBIOVZLU-UHFFFAOYSA-N

Compound name

1-benzylsulfinyl-N,N-dipropylformamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1
Patents: 267.1293 Da
Monoisotopic Mass: 2.7
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]+	268.13658	163.5
[M+Na]+	290.11852	168.1
[M-H]-	266.12202	167.8
[M+NH4]+	285.16312	180.7
[M+K]+	306.09246	166.0
[M+H-H2O]+	250.12656	156.1
[M+HCOO]-	312.12750	181.3
[M+CH3COO]-	326.14315	201.1
[M+Na-2H]-	288.10397	163.2
[M]+	267.12875	167.9
[M]-	267.12985	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe