CID 5272205

6-(.beta.-d-ribofuranosyl)-2-phenyl-6h-imidazo[1,2-c]-pyrimidim-5-one

Structural Information

Molecular Formula
C17H17N3O5
SMILES
C1=CC=C(C=C1)C2=CN3C(=N2)C=CN(C3=O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C17H17N3O5/c21-9-12-14(22)15(23)16(25-12)19-7-6-13-18-11(8-20(13)17(19)24)10-4-2-1-3-5-10/h1-8,12,14-16,21-23H,9H2/t12-,14-,15-,16-/m1/s1
InChIKey
JYODMTGMMZCVBA-DTZQCDIJSA-N
Compound name
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.11682 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12410 176.1
[M+Na]+ 366.10604 186.2
[M-H]- 342.10954 181.7
[M+NH4]+ 361.15064 186.8
[M+K]+ 382.07998 181.9
[M+H-H2O]+ 326.11408 168.1
[M+HCOO]- 388.11502 192.2
[M+CH3COO]- 402.13067 186.6
[M+Na-2H]- 364.09149 176.1
[M]+ 343.11627 178.2
[M]- 343.11737 178.2
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.