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

2
Patents

307.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.095106 168.1
[M+Na]+ 330.077048 175.7
[M-H]- 306.080554 175.1
[M+NH4]+ 325.121653 183.0
[M+K]+ 346.050988 172.0
[M+H-H2O]+ 290.085090 160.3
[M+HCOO]- 352.086031 187.6
[M+CH3COO]- 366.101681 203.1
[M+Na-2H]- 328.062496 172.8
[M]+ 307.08728142 173.5
[M]- 307.08837858 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