CID 483114

L-613,517

Structural Information

Molecular Formula
C17H17ClN2O7S2
SMILES
CC(C)S(=O)(=O)C1=C(C=C(C(=C1)S(=O)(=O)N)NC(=O)C(=O)OC2=CC=CC=C2)Cl
InChI
InChI=1S/C17H17ClN2O7S2/c1-10(2)28(23,24)14-9-15(29(19,25)26)13(8-12(14)18)20-16(21)17(22)27-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)(H2,19,25,26)
InChIKey
BRCIPQYEUNSPKL-UHFFFAOYSA-N
Compound name
phenyl 2-(5-chloro-4-propan-2-ylsulfonyl-2-sulfamoylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.01657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.02385 197.7
[M+Na]+ 483.00579 203.1
[M-H]- 459.00929 203.5
[M+NH4]+ 478.05039 206.0
[M+K]+ 498.97973 198.2
[M+H-H2O]+ 443.01383 191.2
[M+HCOO]- 505.01477 203.4
[M+CH3COO]- 519.03042 227.4
[M+Na-2H]- 480.99124 199.5
[M]+ 460.01602 204.0
[M]- 460.01712 204.0
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.