CID 197004

Butaglionamide

Structural Information

Molecular Formula
C19H22N4O6S2
SMILES
CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C19H22N4O6S2/c1-2-3-4-17-18(24)22(13-5-9-15(10-6-13)30(20,26)27)23(19(17)25)14-7-11-16(12-8-14)31(21,28)29/h5-12,17H,2-4H2,1H3,(H2,20,26,27)(H2,21,28,29)
InChIKey
LQAWOGLRRBCUJM-UHFFFAOYSA-N
Compound name
4-[4-butyl-3,5-dioxo-2-(4-sulfamoylphenyl)pyrazolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

466.09808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10536 208.7
[M+Na]+ 489.08730 215.9
[M-H]- 465.09080 214.8
[M+NH4]+ 484.13190 215.3
[M+K]+ 505.06124 209.2
[M+H-H2O]+ 449.09534 201.0
[M+HCOO]- 511.09628 217.3
[M+CH3COO]- 525.11193 232.6
[M+Na-2H]- 487.07275 208.0
[M]+ 466.09753 211.0
[M]- 466.09863 211.0
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

patents stripe