CID 30338

N-tert-butyl-p-(isopropylsulfonyl)benzamide

Structural Information

Molecular Formula

C₁₄H₂₁NO₃S

SMILES

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

InChI

InChI=1S/C14H21NO3S/c1-10(2)19(17,18)12-8-6-11(7-9-12)13(16)15-14(3,4)5/h6-10H,1-5H3,(H,15,16)

InChIKey

NOHXMJNFUMXBEV-UHFFFAOYSA-N

Compound name

N-tert-butyl-4-propan-2-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	170.3
[M-H]-	282.116924	167.8
[M+NH4]+	301.158023	180.3
[M+K]+	322.087358	167.8
[M+H-H2O]+	266.121460	158.2
[M+HCOO]-	328.122401	178.8
[M+CH3COO]-	342.138051	200.9
[M+Na-2H]-	304.098866	166.2
[M]+	283.12365142	167.4
[M]-	283.12474858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.