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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 167.1
[M+Na]+ 306.11342 175.8
[M+NH4]+ 301.15802 173.0
[M+K]+ 322.08736 170.5
[M-H]- 282.11692 166.7
[M+Na-2H]- 304.09887 170.8
[M]+ 283.12365 168.6
[M]- 283.12475 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.