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]+ 400.11730 189.5
[M+Na]+ 422.09924 191.4
[M-H]- 398.10274 192.0
[M+NH4]+ 417.14384 199.0
[M+K]+ 438.07318 190.7
[M+H-H2O]+ 382.10728 181.3
[M+HCOO]- 444.10822 205.1
[M+CH3COO]- 458.12387 223.5
[M+Na-2H]- 420.08469 188.8
[M]+ 399.10947 193.5
[M]- 399.11057 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.