CID 5272677

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

Structural Information

Molecular Formula
C30H42N2O5
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(C)C
InChI
InChI=1S/C30H42N2O5/c1-4-5-6-7-8-9-10-11-12-25-28(22-15-13-21(14-16-22)20(2)3)23-18-32(30(35)31-29(23)37-25)27-17-24(34)26(19-33)36-27/h13-16,18,20,24,26-27,33-34H,4-12,17,19H2,1-3H3/t24-,26+,27+/m0/s1
InChIKey
SHQYRKIALYPRIM-WYMJOSIYSA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-propan-2-ylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.3094 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.31668 231.7
[M+Na]+ 533.29862 237.0
[M-H]- 509.30212 238.5
[M+NH4]+ 528.34322 236.3
[M+K]+ 549.27256 232.5
[M+H-H2O]+ 493.30666 222.7
[M+HCOO]- 555.30760 243.9
[M+CH3COO]- 569.32325 243.1
[M+Na-2H]- 531.28407 224.1
[M]+ 510.30885 239.5
[M]- 510.30995 239.5
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.