CID 18962050

3,4,5-trimethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO5S
SMILES
COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N
InChI
InChI=1S/C9H13NO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
MJAHNNKQLXJQDX-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

247.05144 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.058716 149.3
[M+Na]+ 270.040658 158.7
[M-H]- 246.044164 153.4
[M+NH4]+ 265.085263 167.0
[M+K]+ 286.014598 157.0
[M+H-H2O]+ 230.048700 143.3
[M+HCOO]- 292.049641 168.7
[M+CH3COO]- 306.065291 192.1
[M+Na-2H]- 268.026106 152.8
[M]+ 247.05089142 155.9
[M]- 247.05198858 155.9
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

patents stripe