CID 71584280

Chembl2326297

Structural Information

Molecular Formula
C25H30N2O3S
SMILES
CCN(CC)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H30N2O3S/c1-5-26(6-2)22-13-9-21(10-14-22)19-27(23-11-7-20(3)8-12-23)31(28,29)25-17-15-24(30-4)16-18-25/h7-18H,5-6,19H2,1-4H3
InChIKey
FKEFNETYRMRPCY-UHFFFAOYSA-N
Compound name
N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-(4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

438.19772 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20500 205.7
[M+Na]+ 461.18694 218.8
[M+NH4]+ 456.23154 212.8
[M+K]+ 477.16088 209.1
[M-H]- 437.19044 213.0
[M+Na-2H]- 459.17239 216.0
[M]+ 438.19717 210.3
[M]- 438.19827 210.3
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