CID 471524

.beta.-d-d4ic

Structural Information

Molecular Formula
C9H10IN3O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)I
InChI
InChI=1S/C9H10IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
GVIRALCBXKGPJZ-CAHLUQPWSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.97668 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98396 158.5
[M+Na]+ 357.96590 161.2
[M-H]- 333.96940 155.5
[M+NH4]+ 353.01050 168.8
[M+K]+ 373.93984 164.6
[M+H-H2O]+ 317.97394 147.3
[M+HCOO]- 379.97488 174.6
[M+CH3COO]- 393.99053 195.8
[M+Na-2H]- 355.95135 149.9
[M]+ 334.97613 155.8
[M]- 334.97723 155.8
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.