CID 502085

N-[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-4-hydrazinocarbonyl-benzenesulfonamide

Structural Information

Molecular Formula
C16H19N5O8S
SMILES
C1=CC(=CC=C1C(=O)NN)S(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI
InChI=1S/C16H19N5O8S/c17-20-14(25)8-1-3-9(4-2-8)30(27,28)18-7-10-12(23)13(24)15(29-10)21-6-5-11(22)19-16(21)26/h1-6,10,12-13,15,18,23-24H,7,17H2,(H,20,25)(H,19,22,26)/t10-,12-,13-,15-/m1/s1
InChIKey
PWPSFEOJNBETEQ-BPGGGUHBSA-N
Compound name
N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-(hydrazinecarbonyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.09543 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.10271 195.4
[M+Na]+ 464.08465 200.7
[M-H]- 440.08815 199.9
[M+NH4]+ 459.12925 199.1
[M+K]+ 480.05859 197.3
[M+H-H2O]+ 424.09269 187.1
[M+HCOO]- 486.09363 207.3
[M+CH3COO]- 500.10928 226.8
[M+Na-2H]- 462.07010 196.5
[M]+ 441.09488 194.9
[M]- 441.09598 194.9
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

No patent data available for this compound.