CID 459912

1-[(1r,2s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13IN2O5
SMILES
C1[C@@H](C([C@H]([C@@H]1N2C=C(C(=O)NC2=O)I)O)O)CO
InChI
InChI=1S/C10H13IN2O5/c11-5-2-13(10(18)12-9(5)17)6-1-4(3-14)7(15)8(6)16/h2,4,6-8,14-16H,1,3H2,(H,12,17,18)/t4-,6-,7?,8+/m1/s1
InChIKey
RDPHRZPSVMEFPE-OBXQVCPESA-N
Compound name
1-[(1R,2S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.9869 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99418 163.9
[M+Na]+ 390.97612 166.1
[M-H]- 366.97962 157.2
[M+NH4]+ 386.02072 172.9
[M+K]+ 406.95006 167.6
[M+H-H2O]+ 350.98416 153.9
[M+HCOO]- 412.98510 174.9
[M+CH3COO]- 427.00075 194.3
[M+Na-2H]- 388.96157 151.5
[M]+ 367.98635 158.9
[M]- 367.98745 158.9
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.