CID 493493

6-hexyl-3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C17H25N3O4
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H25N3O4/c1-2-3-4-5-6-12-7-11-9-20(17(23)19-16(11)18-12)15-8-13(22)14(10-21)24-15/h7,9,13-15,21-22H,2-6,8,10H2,1H3,(H,18,19,23)/t13-,14+,15+/m0/s1
InChIKey
HTBGYLPFOOPFLJ-RRFJBIMHSA-N
Compound name
6-hexyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

335.1845 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 179.7
[M+Na]+ 358.17372 188.0
[M-H]- 334.17722 180.9
[M+NH4]+ 353.21832 191.2
[M+K]+ 374.14766 183.3
[M+H-H2O]+ 318.18176 172.1
[M+HCOO]- 380.18270 194.4
[M+CH3COO]- 394.19835 203.8
[M+Na-2H]- 356.15917 178.4
[M]+ 335.18395 182.5
[M]- 335.18505 182.5
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.