CID 506151

3-[(5s)-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)-3-hydrofurano[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)C4CC[C@H](O4)CO
InChI
InChI=1S/C22H26N2O4/c1-2-3-4-5-15-6-8-16(9-7-15)19-12-17-13-24(22(26)23-21(17)28-19)20-11-10-18(14-25)27-20/h6-9,12-13,18,20,25H,2-5,10-11,14H2,1H3/t18-,20?/m0/s1
InChIKey
AXVQOAZFNZYHNN-LROBGIAVSA-N
Compound name
3-[(5S)-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

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 191.7
[M+Na]+ 405.17849 200.3
[M-H]- 381.18199 200.5
[M+NH4]+ 400.22309 202.2
[M+K]+ 421.15243 196.7
[M+H-H2O]+ 365.18653 183.3
[M+HCOO]- 427.18747 209.4
[M+CH3COO]- 441.20312 202.1
[M+Na-2H]- 403.16394 190.9
[M]+ 382.18872 197.2
[M]- 382.18982 197.2
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.