CID 135524656

7-[(3s,5s)-5-(benzyloxymethyl)tetrahydrofuran-3-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C18H19N3O3
SMILES
C1[C@@H](CO[C@@H]1COCC2=CC=CC=C2)N3C=CC4=C3N=CNC4=O
InChI
InChI=1S/C18H19N3O3/c22-18-16-6-7-21(17(16)19-12-20-18)14-8-15(24-10-14)11-23-9-13-4-2-1-3-5-13/h1-7,12,14-15H,8-11H2,(H,19,20,22)/t14-,15-/m0/s1
InChIKey
CQOVXOGFWKAKQT-GJZGRUSLSA-N
Compound name
7-[(3S,5S)-5-(phenylmethoxymethyl)oxolan-3-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 172.9
[M+Na]+ 348.13186 181.5
[M-H]- 324.13536 179.7
[M+NH4]+ 343.17646 185.1
[M+K]+ 364.10580 177.0
[M+H-H2O]+ 308.13990 163.4
[M+HCOO]- 370.14084 191.5
[M+CH3COO]- 384.15649 183.7
[M+Na-2H]- 346.11731 174.9
[M]+ 325.14209 174.7
[M]- 325.14319 174.7
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.