CID 5272683

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

Structural Information

Molecular Formula
C27H37N3O5
SMILES
CCCCCCCCCCC1=C(C2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=C(C=C4)N
InChI
InChI=1S/C27H37N3O5/c1-2-3-4-5-6-7-8-9-10-22-25(18-11-13-19(28)14-12-18)20-16-30(27(33)29-26(20)35-22)24-15-21(32)23(17-31)34-24/h11-14,16,21,23-24,31-32H,2-10,15,17,28H2,1H3/t21-,23+,24+/m0/s1
InChIKey
FEXDWNZBBMFFSU-QPTUXGOLSA-N
Compound name
5-(4-aminophenyl)-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

483.27332 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.28060 221.7
[M+Na]+ 506.26254 227.7
[M-H]- 482.26604 228.6
[M+NH4]+ 501.30714 227.0
[M+K]+ 522.23648 223.1
[M+H-H2O]+ 466.27058 212.6
[M+HCOO]- 528.27152 236.5
[M+CH3COO]- 542.28717 238.7
[M+Na-2H]- 504.24799 216.7
[M]+ 483.27277 227.7
[M]- 483.27387 227.7
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.