CID 6479197

.beta.-l-iv-oddu

Structural Information

Molecular Formula
C10H11IN2O5
SMILES
C1[C@H](O[C@H](O1)CO)N2C=C(C(=O)NC2=O)/C=C/I
InChI
InChI=1S/C10H11IN2O5/c11-2-1-6-3-13(10(16)12-9(6)15)7-5-17-8(4-14)18-7/h1-3,7-8,14H,4-5H2,(H,12,15,16)/b2-1+/t7-,8-/m0/s1
InChIKey
KOGBUXRCFBDPLI-HIQWKFPQSA-N
Compound name
1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

365.97128 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97856 164.5
[M+Na]+ 388.96050 166.6
[M-H]- 364.96400 160.7
[M+NH4]+ 384.00510 172.0
[M+K]+ 404.93444 170.3
[M+H-H2O]+ 348.96854 153.7
[M+HCOO]- 410.96948 176.8
[M+CH3COO]- 424.98513 195.1
[M+Na-2H]- 386.94595 155.3
[M]+ 365.97073 162.5
[M]- 365.97183 162.5
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