CID 271021

Nsc114405

Structural Information

Molecular Formula
C18H20N8O4S
SMILES
CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(C(=O)N(C3=O)C)C)N
InChI
InChI=1S/C18H20N8O4S/c1-10-9-14(21-11(2)20-10)24-31(29,30)13-7-5-12(6-8-13)22-23-15-16(19)25(3)18(28)26(4)17(15)27/h5-9H,19H2,1-4H3,(H,20,21,24)
InChIKey
WUSZIDCGPNGZMK-UHFFFAOYSA-N
Compound name
4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.1328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14008 209.4
[M+Na]+ 467.12202 220.6
[M-H]- 443.12552 218.1
[M+NH4]+ 462.16662 213.9
[M+K]+ 483.09596 214.0
[M+H-H2O]+ 427.13006 197.6
[M+HCOO]- 489.13100 228.9
[M+CH3COO]- 503.14665 244.1
[M+Na-2H]- 465.10747 213.4
[M]+ 444.13225 215.1
[M]- 444.13335 215.1
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

No patent data available for this compound.