CID 210037

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

Structural Information

Molecular Formula
C14H21NO3S
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C
InChI
InChI=1S/C14H21NO3S/c1-5-15(6-2)14(16)12-7-9-13(10-8-12)19(17,18)11(3)4/h7-11H,5-6H2,1-4H3
InChIKey
YYVRGQJIOQHGEO-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 164.2
[M+Na]+ 306.11342 170.1
[M-H]- 282.11692 169.1
[M+NH4]+ 301.15802 180.9
[M+K]+ 322.08736 168.5
[M+H-H2O]+ 266.12146 157.5
[M+HCOO]- 328.12240 180.8
[M+CH3COO]- 342.13805 204.5
[M+Na-2H]- 304.09887 164.5
[M]+ 283.12365 169.4
[M]- 283.12475 169.4
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.