CID 493479

Cf1649

Structural Information

Molecular Formula
C20H29IN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCCCCI)CO)O
InChI
InChI=1S/C20H29IN2O5/c21-9-7-5-3-1-2-4-6-8-15-10-14-12-23(20(26)22-19(14)27-15)18-11-16(25)17(13-24)28-18/h10,12,16-18,24-25H,1-9,11,13H2/t16-,17+,18+/m0/s1
InChIKey
VHIGLUZDMVZXLK-RCCFBDPRSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(9-iodononyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

504.11212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.11940 205.5
[M+Na]+ 527.10134 205.5
[M-H]- 503.10484 202.1
[M+NH4]+ 522.14594 210.5
[M+K]+ 543.07528 208.0
[M+H-H2O]+ 487.10938 194.4
[M+HCOO]- 549.11032 216.0
[M+CH3COO]- 563.12597 223.5
[M+Na-2H]- 525.08679 192.0
[M]+ 504.11157 209.3
[M]- 504.11267 209.3
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.