CID 16728588

2(1h)-pyrimidinone, 4-amino-1-[2,3-dideoxy-3-(phenylmethyl)-b-d-threo-pentofuranosyl]-

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N3O3/c17-14-6-7-19(16(21)18-14)15-9-12(13(10-20)22-15)8-11-4-2-1-3-5-11/h1-7,12-13,15,20H,8-10H2,(H2,17,18,21)/t12-,13-,15-/m1/s1
InChIKey
RKPNBSAIZMPHEM-UMVBOHGHSA-N
Compound name
4-amino-1-[(2R,4R,5S)-4-benzyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.14264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 169.8
[M+Na]+ 324.13186 177.2
[M-H]- 300.13536 176.2
[M+NH4]+ 319.17646 181.3
[M+K]+ 340.10580 173.2
[M+H-H2O]+ 284.13990 160.4
[M+HCOO]- 346.14084 188.8
[M+CH3COO]- 360.15649 180.4
[M+Na-2H]- 322.11731 171.3
[M]+ 301.14209 168.2
[M]- 301.14319 168.2
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.