CID 703894

14165-67-4

Structural Information

Molecular Formula
C17H21NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H21NO4S/c1-13-4-7-15(8-5-13)23(19,20)18-11-10-14-6-9-16(21-2)17(12-14)22-3/h4-9,12,18H,10-11H2,1-3H3
InChIKey
UOGKETJBQQAPPZ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

335.11914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12642 176.7
[M+Na]+ 358.10836 184.2
[M-H]- 334.11186 183.7
[M+NH4]+ 353.15296 190.7
[M+K]+ 374.08230 180.2
[M+H-H2O]+ 318.11640 168.6
[M+HCOO]- 380.11734 195.5
[M+CH3COO]- 394.13299 210.3
[M+Na-2H]- 356.09381 179.8
[M]+ 335.11859 183.2
[M]- 335.11969 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe