CID 987772

Smr000105516

Structural Information

Molecular Formula
C21H23N3O7S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H23N3O7S/c1-12-13(2)23-31-21(12)24-32(26,27)16-8-6-15(7-9-16)22-20(25)14-10-17(28-3)19(30-5)18(11-14)29-4/h6-11,24H,1-5H3,(H,22,25)
InChIKey
WLIZTJCHGLGJGF-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

461.12567 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.13295 207.8
[M+Na]+ 484.11489 215.2
[M-H]- 460.11839 218.3
[M+NH4]+ 479.15949 215.2
[M+K]+ 500.08883 213.7
[M+H-H2O]+ 444.12293 198.7
[M+HCOO]- 506.12387 225.8
[M+CH3COO]- 520.13952 236.3
[M+Na-2H]- 482.10034 208.7
[M]+ 461.12512 218.1
[M]- 461.12622 218.1
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.