CID 493485

319425-66-6

Structural Information

Molecular Formula
C22H26N2O5
SMILES
CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C22H26N2O5/c1-2-3-4-5-14-6-8-15(9-7-14)18-10-16-12-24(22(27)23-21(16)29-18)20-11-17(26)19(13-25)28-20/h6-10,12,17,19-20,25-26H,2-5,11,13H2,1H3/t17-,19+,20+/m0/s1
InChIKey
MFGSDSRTGUVZQG-DFQSSKMNSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

12
Patents

398.18417 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19145 194.9
[M+Na]+ 421.17339 203.5
[M-H]- 397.17689 202.8
[M+NH4]+ 416.21799 204.1
[M+K]+ 437.14733 199.9
[M+H-H2O]+ 381.18143 186.9
[M+HCOO]- 443.18237 211.1
[M+CH3COO]- 457.19802 204.7
[M+Na-2H]- 419.15884 193.3
[M]+ 398.18362 200.5
[M]- 398.18472 200.5
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.