CID 3067499

Brn 5172533

Structural Information

Molecular Formula
C19H19N3O7S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C19H19N3O7S/c1-2-29-19(26)18(25)21-14-8-10-15(11-9-14)30(27,28)22-17(24)16(23)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKey
XGUCVTKLNCNNCP-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(benzylamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.09436 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.10164 197.6
[M+Na]+ 456.08358 199.6
[M-H]- 432.08708 203.2
[M+NH4]+ 451.12818 205.2
[M+K]+ 472.05752 197.6
[M+H-H2O]+ 416.09162 188.2
[M+HCOO]- 478.09256 214.7
[M+CH3COO]- 492.10821 227.7
[M+Na-2H]- 454.06903 199.5
[M]+ 433.09381 200.7
[M]- 433.09491 200.7
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.