CID 513045

3-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(3-phenoxy-propyl)-3h-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C20H22N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCOC4=CC=CC=C4)CO)O
InChI
InChI=1S/C20H22N2O6/c23-12-17-16(24)10-18(28-17)22-11-13-9-15(27-19(13)21-20(22)25)7-4-8-26-14-5-2-1-3-6-14/h1-3,5-6,9,11,16-18,23-24H,4,7-8,10,12H2/t16-,17+,18+/m0/s1
InChIKey
KREDAZGQAMEZRZ-RCCFBDPRSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(3-phenoxypropyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.1478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15508 186.8
[M+Na]+ 409.13702 195.2
[M-H]- 385.14052 194.7
[M+NH4]+ 404.18162 196.1
[M+K]+ 425.11096 192.8
[M+H-H2O]+ 369.14506 178.8
[M+HCOO]- 431.14600 204.0
[M+CH3COO]- 445.16165 197.1
[M+Na-2H]- 407.12247 187.3
[M]+ 386.14725 192.7
[M]- 386.14835 192.7
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.