CID 5274187

2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-5-(1-methyl-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C14H18N4O4
SMILES
CN1C=CC=C1C2=CN(C(=O)N=C2N)[C@@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C14H18N4O4/c1-17-4-2-3-9(17)8-6-18(14(21)16-13(8)15)12-5-10(20)11(7-19)22-12/h2-4,6,10-12,19-20H,5,7H2,1H3,(H2,15,16,21)/t10-,11+,12-/m0/s1
InChIKey
IXUBFVMUFWRRNP-TUAOUCFPSA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-methylpyrrol-2-yl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1328 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14008 169.4
[M+Na]+ 329.12202 178.4
[M-H]- 305.12552 174.6
[M+NH4]+ 324.16662 181.0
[M+K]+ 345.09596 174.9
[M+H-H2O]+ 289.13006 161.2
[M+HCOO]- 351.13100 187.2
[M+CH3COO]- 365.14665 201.9
[M+Na-2H]- 327.10747 167.5
[M]+ 306.13225 169.0
[M]- 306.13335 169.0
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.