CID 5272676

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

Structural Information

Molecular Formula
C29H38N2O6
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(=O)C
InChI
InChI=1S/C29H38N2O6/c1-3-4-5-6-7-8-9-10-11-24-27(21-14-12-20(13-15-21)19(2)33)22-17-31(29(35)30-28(22)37-24)26-16-23(34)25(18-32)36-26/h12-15,17,23,25-26,32,34H,3-11,16,18H2,1-2H3/t23-,25+,26+/m0/s1
InChIKey
MXZLCBLHZBJFNO-SKBVVQJISA-N
Compound name
5-(4-acetylphenyl)-6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.27298 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.28026 228.4
[M+Na]+ 533.26220 234.1
[M-H]- 509.26570 235.5
[M+NH4]+ 528.30680 232.8
[M+K]+ 549.23614 230.1
[M+H-H2O]+ 493.27024 219.6
[M+HCOO]- 555.27118 241.4
[M+CH3COO]- 569.28683 242.0
[M+Na-2H]- 531.24765 221.7
[M]+ 510.27243 236.6
[M]- 510.27353 236.6
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.