CID 3067498

Brn 5170171

Structural Information

Molecular Formula
C18H23N3O7S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC2CCCCC2
InChI
InChI=1S/C18H23N3O7S/c1-2-28-18(25)17(24)20-13-8-10-14(11-9-13)29(26,27)21-16(23)15(22)19-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKey
ZHKXSICWNWHQRB-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(cyclohexylamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.12567 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13295 193.5
[M+Na]+ 448.11489 193.1
[M-H]- 424.11839 197.9
[M+NH4]+ 443.15949 201.4
[M+K]+ 464.08883 191.9
[M+H-H2O]+ 408.12293 184.9
[M+HCOO]- 470.12387 206.8
[M+CH3COO]- 484.13952 226.1
[M+Na-2H]- 446.10034 193.7
[M]+ 425.12512 192.5
[M]- 425.12622 192.5
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

No patent data available for this compound.