CID 1116832

N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzenesulfonamide

Structural Information

Molecular Formula
C16H14N4O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C=CC3=O)C
InChI
InChI=1S/C16H14N4O4S/c1-10-9-11(2)18-16(17-10)19-25(23,24)13-5-3-12(4-6-13)20-14(21)7-8-15(20)22/h3-9H,1-2H3,(H,17,18,19)
InChIKey
WSQPMZKOBNUEID-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

358.07358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08086 181.8
[M+Na]+ 381.06280 194.4
[M+NH4]+ 376.10740 186.5
[M+K]+ 397.03674 189.5
[M-H]- 357.06630 184.2
[M+Na-2H]- 379.04825 188.6
[M]+ 358.07303 184.5
[M]- 358.07413 184.5
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

patents stripe