CID 3067497

Brn 5160908

Structural Information

Molecular Formula
C16H21N3O7S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCC(C)C
InChI
InChI=1S/C16H21N3O7S/c1-4-26-16(23)15(22)18-11-5-7-12(8-6-11)27(24,25)19-14(21)13(20)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKey
KPAHRHZZQKAJGR-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(2-methylpropylamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.11002 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.117296 189.5
[M+Na]+ 422.099238 191.4
[M-H]- 398.102744 192.0
[M+NH4]+ 417.143843 199.0
[M+K]+ 438.073178 190.7
[M+H-H2O]+ 382.107280 181.3
[M+HCOO]- 444.108221 205.1
[M+CH3COO]- 458.123871 223.5
[M+Na-2H]- 420.084686 188.8
[M]+ 399.10947142 193.5
[M]- 399.11056858 193.5
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.