CID 493481

Cf1835

Structural Information

Molecular Formula
C18H18N2O5
SMILES
CC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C18H18N2O5/c1-10-2-4-11(5-3-10)14-6-12-8-20(18(23)19-17(12)25-14)16-7-13(22)15(9-21)24-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1
InChIKey
KVKIFSTWWCWHFR-NUEKZKHPSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-methylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

342.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 176.7
[M+Na]+ 365.11080 187.3
[M-H]- 341.11430 185.4
[M+NH4]+ 360.15540 188.4
[M+K]+ 381.08474 184.5
[M+H-H2O]+ 325.11884 169.6
[M+HCOO]- 387.11978 194.4
[M+CH3COO]- 401.13543 188.4
[M+Na-2H]- 363.09625 177.2
[M]+ 342.12103 181.1
[M]- 342.12213 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.