CID 16077142

2(1h)-pyrimidinone, 4-amino-1-[(2s,4s)-tetrahydro-4-(hydroxymethyl)-4-phenyl-2-furanyl]-

Structural Information

Molecular Formula
C15H17N3O3
SMILES
C1[C@H](OC[C@]1(CO)C2=CC=CC=C2)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H17N3O3/c16-12-6-7-18(14(20)17-12)13-8-15(9-19,10-21-13)11-4-2-1-3-5-11/h1-7,13,19H,8-10H2,(H2,16,17,20)/t13-,15-/m0/s1
InChIKey
RKZOHZOEIKIMEU-ZFWWWQNUSA-N
Compound name
4-amino-1-[(2S,4S)-4-(hydroxymethyl)-4-phenyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.12698 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 164.1
[M+Na]+ 310.11620 172.2
[M-H]- 286.11970 170.8
[M+NH4]+ 305.16080 178.0
[M+K]+ 326.09014 168.7
[M+H-H2O]+ 270.12424 155.3
[M+HCOO]- 332.12518 183.7
[M+CH3COO]- 346.14083 175.4
[M+Na-2H]- 308.10165 168.2
[M]+ 287.12643 162.2
[M]- 287.12753 162.2
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.