CID 483111

L-584,024

Structural Information

Molecular Formula
C12H16ClN3O7S2
SMILES
CCCCOC(=O)C(=O)NC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H16ClN3O7S2/c1-2-3-4-23-12(18)11(17)16-8-5-7(13)9(24(14,19)20)6-10(8)25(15,21)22/h5-6H,2-4H2,1H3,(H,16,17)(H2,14,19,20)(H2,15,21,22)
InChIKey
HVEMUTCLZCHUSR-UHFFFAOYSA-N
Compound name
butyl 2-(5-chloro-2,4-disulfamoylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.0118 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.01908 185.6
[M+Na]+ 436.00102 190.8
[M-H]- 412.00452 187.5
[M+NH4]+ 431.04562 195.3
[M+K]+ 451.97496 185.5
[M+H-H2O]+ 396.00906 179.5
[M+HCOO]- 458.01000 192.2
[M+CH3COO]- 472.02565 220.8
[M+Na-2H]- 433.98647 186.9
[M]+ 413.01125 190.5
[M]- 413.01235 190.5
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.