CID 210038

Benzamide, n,n-diethyl-o-(isopropylsulfonyl)-

Structural Information

Molecular Formula

C₁₄H₂₁NO₃S

SMILES

CCN(CC)C(=O)C1=CC=CC=C1S(=O)(=O)C(C)C

InChI

InChI=1S/C14H21NO3S/c1-5-15(6-2)14(16)12-9-7-8-10-13(12)19(17,18)11(3)4/h7-11H,5-6H2,1-4H3

InChIKey

IAMBCYTVPIHEKO-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-propan-2-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.1242 Da
Monoisotopic Mass: 2.2
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]+	284.131476	164.2
[M+Na]+	306.113418	170.1
[M-H]-	282.116924	169.1
[M+NH4]+	301.158023	180.9
[M+K]+	322.087358	168.5
[M+H-H2O]+	266.121460	157.5
[M+HCOO]-	328.122401	180.8
[M+CH3COO]-	342.138051	204.5
[M+Na-2H]-	304.098866	164.5
[M]+	283.12365142	169.4
[M]-	283.12474858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe