CID 498017

2(1h)-pyrimidinone, 4-amino-1-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-5-iodo-

Structural Information

Molecular Formula
C10H12IN3O4
SMILES
C1=C([C@H]([C@H]([C@@H]1N2C=C(C(=NC2=O)N)I)O)O)CO
InChI
InChI=1S/C10H12IN3O4/c11-5-2-14(10(18)13-9(5)12)6-1-4(3-15)7(16)8(6)17/h1-2,6-8,15-17H,3H2,(H2,12,13,18)/t6-,7-,8+/m1/s1
InChIKey
WWNVFJNOSTZSMD-PRJMDXOYSA-N
Compound name
4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.98724 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.99452 167.0
[M+Na]+ 387.97646 169.6
[M-H]- 363.97996 161.5
[M+NH4]+ 383.02106 176.4
[M+K]+ 403.95040 171.3
[M+H-H2O]+ 347.98450 156.4
[M+HCOO]- 409.98544 180.8
[M+CH3COO]- 424.00109 199.0
[M+Na-2H]- 385.96191 155.1
[M]+ 364.98669 162.7
[M]- 364.98779 162.7
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.