CID 3712910

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one

Structural Information

Molecular Formula
C9H12IN3O5
SMILES
C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I
InChI
InChI=1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)
InChIKey
LQQGJDJXUSAEMZ-UHFFFAOYSA-N
Compound name
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

368.98218 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.98946 169.3
[M+Na]+ 391.97140 171.3
[M-H]- 367.97490 164.2
[M+NH4]+ 387.01600 177.2
[M+K]+ 407.94534 174.6
[M+H-H2O]+ 351.97944 158.6
[M+HCOO]- 413.98038 181.3
[M+CH3COO]- 427.99603 199.0
[M+Na-2H]- 389.95685 157.5
[M]+ 368.98163 165.2
[M]- 368.98273 165.2
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

patents stripe