CID 271018

Nsc114402

Structural Information

Molecular Formula
C15H15N7O4S2
SMILES
CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)N
InChI
InChI=1S/C15H15N7O4S2/c1-21-12(16)11(13(23)22(2)15(21)24)19-18-9-3-5-10(6-4-9)28(25,26)20-14-17-7-8-27-14/h3-8H,16H2,1-2H3,(H,17,20)
InChIKey
ZGICVIYWKXQXOW-UHFFFAOYSA-N
Compound name
4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.06268 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.06996 196.6
[M+Na]+ 444.05190 207.4
[M-H]- 420.05540 206.1
[M+NH4]+ 439.09650 205.3
[M+K]+ 460.02584 200.5
[M+H-H2O]+ 404.05994 187.2
[M+HCOO]- 466.06088 214.1
[M+CH3COO]- 480.07653 233.1
[M+Na-2H]- 442.03735 200.0
[M]+ 421.06213 201.9
[M]- 421.06323 201.9
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.