CID 483110

L-346,291

Structural Information

Molecular Formula
C10H11Cl2N3O7S2
SMILES
CCOC(=O)C(=O)NC1=C(C(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C10H11Cl2N3O7S2/c1-2-22-10(17)9(16)15-8-5(24(14,20)21)3-4(23(13,18)19)6(11)7(8)12/h3H,2H2,1H3,(H,15,16)(H2,13,18,19)(H2,14,20,21)
InChIKey
AIECKUAGSWPTTO-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dichloro-4,6-disulfamoylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.94156 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.94884 181.1
[M+Na]+ 441.93078 188.0
[M-H]- 417.93428 183.8
[M+NH4]+ 436.97538 191.5
[M+K]+ 457.90472 182.4
[M+H-H2O]+ 401.93882 177.2
[M+HCOO]- 463.93976 183.9
[M+CH3COO]- 477.95541 220.4
[M+Na-2H]- 439.91623 182.3
[M]+ 418.94101 186.9
[M]- 418.94211 186.9
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.