CID 4584276

N-(3,4-dimethoxybenzyl)benzenesulfonamide

Structural Information

Molecular Formula
C15H17NO4S
SMILES
COC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C15H17NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKey
YLXLNLAJPGHVPS-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09511 168.1
[M+Na]+ 330.07705 175.7
[M-H]- 306.08055 175.1
[M+NH4]+ 325.12165 183.0
[M+K]+ 346.05099 172.0
[M+H-H2O]+ 290.08509 160.3
[M+HCOO]- 352.08603 187.6
[M+CH3COO]- 366.10168 203.1
[M+Na-2H]- 328.06250 172.8
[M]+ 307.08728 173.5
[M]- 307.08838 173.5
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

patents stripe