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]+ 288.134256 164.1
[M+Na]+ 310.116198 172.2
[M-H]- 286.119704 170.8
[M+NH4]+ 305.160803 178.0
[M+K]+ 326.090138 168.7
[M+H-H2O]+ 270.124240 155.3
[M+HCOO]- 332.125181 183.7
[M+CH3COO]- 346.140831 175.4
[M+Na-2H]- 308.101646 168.2
[M]+ 287.12643142 162.2
[M]- 287.12752858 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.