CID 15958450

Schembl2582602

Structural Information

Molecular Formula
C9H12IN3O5
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=NC2=O)NO)I)CO
InChI
InChI=1S/C9H12IN3O5/c10-5-2-13(9(16)11-7(5)12-17)8-6(15)1-4(3-14)18-8/h2,4,6,8,14-15,17H,1,3H2,(H,11,12,16)/t4-,6+,8+/m0/s1
InChIKey
OXRABKGVJHFILE-CVTKMRTPSA-N
Compound name
4-(hydroxyamino)-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

368.98218 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.98946 167.8
[M+Na]+ 391.97140 168.9
[M-H]- 367.97490 162.7
[M+NH4]+ 387.01600 175.6
[M+K]+ 407.94534 172.5
[M+H-H2O]+ 351.97944 156.8
[M+HCOO]- 413.98038 180.4
[M+CH3COO]- 427.99603 198.1
[M+Na-2H]- 389.95685 157.7
[M]+ 368.98163 164.2
[M]- 368.98273 164.2
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

patents stripe