CID 5274294

2,4(1h,3h)-pyrimidinedione, 1-[2,5-dideoxy-5-[[(4-methoxyphenyl)sulfonyl]amino]-b-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C17H21N3O7S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C17H21N3O7S/c1-10-9-20(17(23)19-16(10)22)15-7-13(21)14(27-15)8-18-28(24,25)12-5-3-11(26-2)4-6-12/h3-6,9,13-15,18,21H,7-8H2,1-2H3,(H,19,22,23)/t13-,14+,15+/m0/s1
InChIKey
GDWFCRRJELJHNX-RRFJBIMHSA-N
Compound name
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.11002 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.11730 192.2
[M+Na]+ 434.09924 200.2
[M-H]- 410.10274 198.5
[M+NH4]+ 429.14384 199.3
[M+K]+ 450.07318 196.5
[M+H-H2O]+ 394.10728 184.3
[M+HCOO]- 456.10822 204.7
[M+CH3COO]- 470.12387 218.0
[M+Na-2H]- 432.08469 192.5
[M]+ 411.10947 196.2
[M]- 411.11057 196.2
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.