CID 205697

Benzamide, n-isopropyl-p-(isopropylsulfonyl)-

Structural Information

Molecular Formula

C₁₃H₁₉NO₃S

SMILES

CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C

InChI

InChI=1S/C13H19NO3S/c1-9(2)14-13(15)11-5-7-12(8-6-11)18(16,17)10(3)4/h5-10H,1-4H3,(H,14,15)

InChIKey

ALQNJBZDGUJPIG-UHFFFAOYSA-N

Compound name

N-propan-2-yl-4-propan-2-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.10855 Da
Monoisotopic Mass: 2.0
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]+	270.115826	160.0
[M+Na]+	292.097768	165.8
[M-H]-	268.101274	163.6
[M+NH4]+	287.142373	176.5
[M+K]+	308.071708	163.6
[M+H-H2O]+	252.105810	153.8
[M+HCOO]-	314.106751	175.5
[M+CH3COO]-	328.122401	199.0
[M+Na-2H]-	290.083216	160.3
[M]+	269.10800142	162.9
[M]-	269.10909858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.