CID 6478359

(e)-1-(beta-d-arabinofuranosyl)-5-styryl-2-thiouracil

Structural Information

Molecular Formula
C17H18N2O5S
SMILES
C1=CC=C(C=C1)/C=C/C2=CN(C(=S)NC2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C17H18N2O5S/c20-9-12-13(21)14(22)16(24-12)19-8-11(15(23)18-17(19)25)7-6-10-4-2-1-3-5-10/h1-8,12-14,16,20-22H,9H2,(H,18,23,25)/b7-6+/t12-,13-,14+,16-/m1/s1
InChIKey
FGEHJKXUYCEHPN-NYJRAPGNSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-phenylethenyl]-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.09363 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10091 183.0
[M+Na]+ 385.08285 191.7
[M-H]- 361.08635 186.7
[M+NH4]+ 380.12745 191.6
[M+K]+ 401.05679 184.8
[M+H-H2O]+ 345.09089 175.8
[M+HCOO]- 407.09183 192.9
[M+CH3COO]- 421.10748 203.0
[M+Na-2H]- 383.06830 179.8
[M]+ 362.09308 182.7
[M]- 362.09418 182.7
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.