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

3
Patents

346.09872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.105996 178.5
[M+Na]+ 369.087938 188.0
[M-H]- 345.091444 184.5
[M+NH4]+ 364.132543 193.0
[M+K]+ 385.061878 182.8
[M+H-H2O]+ 329.095980 171.3
[M+HCOO]- 391.096921 196.6
[M+CH3COO]- 405.112571 207.9
[M+Na-2H]- 367.073386 183.2
[M]+ 346.09817142 184.9
[M]- 346.09926858 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.