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

2
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 188.0
[M-H]- 345.09144 184.5
[M+NH4]+ 364.13254 193.0
[M+K]+ 385.06188 182.8
[M+H-H2O]+ 329.09598 171.3
[M+HCOO]- 391.09692 196.6
[M+CH3COO]- 405.11257 207.9
[M+Na-2H]- 367.07339 183.2
[M]+ 346.09817 184.9
[M]- 346.09927 184.9
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

No patent data available for this compound.