CID 2809474

Ccg-47513

Structural Information

Molecular Formula
C19H27N3O8S
SMILES
CCOC(=O)C1=CC(=C(C=C1NS(=O)(=O)C2=CN(C=N2)C)OCCOC)OCCOC
InChI
InChI=1S/C19H27N3O8S/c1-5-28-19(23)14-10-16(29-8-6-26-3)17(30-9-7-27-4)11-15(14)21-31(24,25)18-12-22(2)13-20-18/h10-13,21H,5-9H2,1-4H3
InChIKey
MGMNVEXTNSQUHD-UHFFFAOYSA-N
Compound name
ethyl 4,5-bis(2-methoxyethoxy)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

457.1519 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.159176 203.8
[M+Na]+ 480.141118 209.5
[M-H]- 456.144624 208.2
[M+NH4]+ 475.185723 211.6
[M+K]+ 496.115058 208.1
[M+H-H2O]+ 440.149160 194.7
[M+HCOO]- 502.150101 220.0
[M+CH3COO]- 516.165751 230.6
[M+Na-2H]- 478.126566 203.8
[M]+ 457.15135142 217.2
[M]- 457.15244858 217.2
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.