CID 491812

4-amino-1-(3-decyloxy-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C19H33N3O5
SMILES
CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C19H33N3O5/c1-2-3-4-5-6-7-8-9-12-26-17-16(24)14(13-23)27-18(17)22-11-10-15(20)21-19(22)25/h10-11,14,16-18,23-24H,2-9,12-13H2,1H3,(H2,20,21,25)/t14-,16-,17+,18-/m1/s1
InChIKey
AYRAOZJCEHDWGC-NRSFXHEJSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-3-decoxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.24203 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.24931 194.4
[M+Na]+ 406.23125 199.0
[M-H]- 382.23475 195.4
[M+NH4]+ 401.27585 202.3
[M+K]+ 422.20519 195.5
[M+H-H2O]+ 366.23929 185.2
[M+HCOO]- 428.24023 209.8
[M+CH3COO]- 442.25588 218.7
[M+Na-2H]- 404.21670 191.4
[M]+ 383.24148 197.7
[M]- 383.24258 197.7
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.