CID 451824

3'-i-5-et-ddu

Structural Information

Molecular Formula
C11H15IN2O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)I
InChI
InChI=1S/C11H15IN2O4/c1-2-6-4-14(11(17)13-10(6)16)9-3-7(12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChIKey
CAYKSEIJSFVTJG-DJLDLDEBSA-N
Compound name
5-ethyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

366.00766 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01494 164.0
[M+Na]+ 388.99688 166.3
[M-H]- 365.00038 159.8
[M+NH4]+ 384.04148 173.1
[M+K]+ 404.97082 169.1
[M+H-H2O]+ 349.00492 153.4
[M+HCOO]- 411.00586 176.6
[M+CH3COO]- 425.02151 197.9
[M+Na-2H]- 386.98233 153.2
[M]+ 366.00711 161.6
[M]- 366.00821 161.6
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