CID 5272680

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

Structural Information

Molecular Formula
C28H38N2O5
SMILES
CCCCCCCCCCC1=C(C2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H38N2O5/c1-3-4-5-6-7-8-9-10-11-23-26(20-14-12-19(2)13-15-20)21-17-30(28(33)29-27(21)35-23)25-16-22(32)24(18-31)34-25/h12-15,17,22,24-25,31-32H,3-11,16,18H2,1-2H3/t22-,24+,25+/m0/s1
InChIKey
FCCGCORLEMWFOW-ICDZXHCJSA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-methylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.27808 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.28536 222.5
[M+Na]+ 505.26730 229.1
[M-H]- 481.27080 229.6
[M+NH4]+ 500.31190 228.5
[M+K]+ 521.24124 224.4
[M+H-H2O]+ 465.27534 213.6
[M+HCOO]- 527.27628 236.5
[M+CH3COO]- 541.29193 236.5
[M+Na-2H]- 503.25275 217.0
[M]+ 482.27753 230.3
[M]- 482.27863 230.3
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.