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

32
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 182.7
[M+Na]+ 381.06280 193.4
[M-H]- 357.06630 190.3
[M+NH4]+ 376.10740 193.5
[M+K]+ 397.03674 187.8
[M+H-H2O]+ 341.07084 173.9
[M+HCOO]- 403.07178 199.1
[M+CH3COO]- 417.08743 212.8
[M+Na-2H]- 379.04825 184.0
[M]+ 358.07303 186.6
[M]- 358.07413 186.6
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