CID 483112

L-586,078

Structural Information

Molecular Formula
C14H12ClN3O7S2
SMILES
C1=CC=C(C=C1)OC(=O)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H12ClN3O7S2/c15-9-6-10(12(27(17,23)24)7-11(9)26(16,21)22)18-13(19)14(20)25-8-4-2-1-3-5-8/h1-7H,(H,18,19)(H2,16,21,22)(H2,17,23,24)
InChIKey
MDJGDYBDFGXHNY-UHFFFAOYSA-N
Compound name
phenyl 2-(5-chloro-2,4-disulfamoylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.98053 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.98781 190.5
[M+Na]+ 455.96975 196.6
[M-H]- 431.97325 195.9
[M+NH4]+ 451.01435 199.2
[M+K]+ 471.94369 191.1
[M+H-H2O]+ 415.97779 183.8
[M+HCOO]- 477.97873 198.3
[M+CH3COO]- 491.99438 223.0
[M+Na-2H]- 453.95520 194.1
[M]+ 432.97998 194.4
[M]- 432.98108 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.