CID 648989

301681-58-3

Structural Information

Molecular Formula
C20H21N3O6S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O6S/c1-12-13(2)22-29-20(12)23-30(25,26)16-8-6-15(7-9-16)21-19(24)14-5-10-17(27-3)18(11-14)28-4/h5-11,23H,1-4H3,(H,21,24)
InChIKey
WDYMRROIHLLKHH-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

431.1151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12238 200.8
[M+Na]+ 454.10432 208.4
[M-H]- 430.10782 211.2
[M+NH4]+ 449.14892 209.4
[M+K]+ 470.07826 206.1
[M+H-H2O]+ 414.11236 191.9
[M+HCOO]- 476.11330 219.1
[M+CH3COO]- 490.12895 229.7
[M+Na-2H]- 452.08977 202.4
[M]+ 431.11455 209.1
[M]- 431.11565 209.1
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

No patent data available for this compound.