CID 54213982

2,4,6-trimethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO5S
SMILES
COC1=CC(=C(C(=C1)OC)S(=O)(=O)N)OC
InChI
InChI=1S/C9H13NO5S/c1-13-6-4-7(14-2)9(16(10,11)12)8(5-6)15-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
PXVUDLXXKGSXHH-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5520
Patents

247.05144 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05872 152.2
[M+Na]+ 270.04066 162.2
[M+NH4]+ 265.08526 158.2
[M+K]+ 286.01460 157.0
[M-H]- 246.04416 152.1
[M+Na-2H]- 268.02611 155.9
[M]+ 247.05089 153.8
[M]- 247.05199 153.8
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