CID 66547077

Chembl4452080

Structural Information

Molecular Formula
C17H18N2O4S
SMILES
COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C17H18N2O4S/c1-22-14-5-3-12(4-6-14)11-18-24(20,21)17-10-13-9-15(23-2)7-8-16(13)19-17/h3-10,18-19H,11H2,1-2H3
InChIKey
ZYAIUNMZKGHCRV-UHFFFAOYSA-N
Compound name
5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.09872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10600 178.5
[M+Na]+ 369.08794 190.9
[M+NH4]+ 364.13254 185.2
[M+K]+ 385.06188 184.6
[M-H]- 345.09144 181.1
[M+Na-2H]- 367.07339 185.1
[M]+ 346.09817 181.4
[M]- 346.09927 181.4
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