CID 501708

3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(5-phenylpentyl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C22H26N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCC4=CC=CC=C4)CO)O
InChI
InChI=1S/C22H26N2O5/c25-14-19-18(26)12-20(29-19)24-13-16-11-17(28-21(16)23-22(24)27)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11,13,18-20,25-26H,2,5-6,9-10,12,14H2/t18-,19+,20+/m0/s1
InChIKey
JCXRYCWMOMSOSM-XUVXKRRUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(5-phenylpentyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.18417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19145 193.9
[M+Na]+ 421.17339 201.6
[M-H]- 397.17689 201.4
[M+NH4]+ 416.21799 202.8
[M+K]+ 437.14733 198.0
[M+H-H2O]+ 381.18143 185.6
[M+HCOO]- 443.18237 210.2
[M+CH3COO]- 457.19802 203.4
[M+Na-2H]- 419.15884 193.0
[M]+ 398.18362 199.0
[M]- 398.18472 199.0
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.