CID 135434182

4-[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-n-[(e)-(4-hydroxy-3-nitro-phenyl)methyleneamino]benzamide

Structural Information

Molecular Formula
C23H22N6O11S
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])S(=O)(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O
InChI
InChI=1S/C23H22N6O11S/c30-16-6-1-12(9-15(16)29(36)37)10-24-27-21(34)13-2-4-14(5-3-13)41(38,39)25-11-17-19(32)20(33)22(40-17)28-8-7-18(31)26-23(28)35/h1-10,17,19-20,22,25,30,32-33H,11H2,(H,27,34)(H,26,31,35)/b24-10+/t17-,19-,20-,22-/m1/s1
InChIKey
SJUYYXQHYFFYDC-PAQMZXMWSA-N
Compound name
4-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

590.10675 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.11403 224.9
[M+Na]+ 613.09597 231.5
[M-H]- 589.09947 224.5
[M+NH4]+ 608.14057 229.2
[M+K]+ 629.06991 227.1
[M+H-H2O]+ 573.10401 210.8
[M+HCOO]- 635.10495 230.9
[M+CH3COO]- 649.12060 248.1
[M+Na-2H]- 611.08142 250.7
[M]+ 590.10620 260.7
[M]- 590.10730 260.7
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.