CID 271023

Nsc114407

Structural Information

Molecular Formula
C17H17N7O4S
SMILES
CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)N
InChI
InChI=1S/C17H17N7O4S/c1-23-15(18)14(16(25)24(2)17(23)26)21-20-11-6-8-12(9-7-11)29(27,28)22-13-5-3-4-10-19-13/h3-10H,18H2,1-2H3,(H,19,22)
InChIKey
NATXRYYJPJNDGJ-UHFFFAOYSA-N
Compound name
4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.10626 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11354 197.8
[M+Na]+ 438.09548 208.0
[M-H]- 414.09898 207.3
[M+NH4]+ 433.14008 204.4
[M+K]+ 454.06942 202.0
[M+H-H2O]+ 398.10352 186.2
[M+HCOO]- 460.10446 219.2
[M+CH3COO]- 474.12011 235.8
[M+Na-2H]- 436.08093 203.8
[M]+ 415.10571 202.1
[M]- 415.10681 202.1
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.