CID 493477

Cf1770

Structural Information

Molecular Formula
C20H29ClN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCCCCCl)CO)O
InChI
InChI=1S/C20H29ClN2O5/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
RUIBSXPWOIGJPG-RCCFBDPRSA-N
Compound name
6-(9-chlorononyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

412.1765 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18378 199.3
[M+Na]+ 435.16572 207.2
[M-H]- 411.16922 202.9
[M+NH4]+ 430.21032 209.1
[M+K]+ 451.13966 202.8
[M+H-H2O]+ 395.17376 192.1
[M+HCOO]- 457.17470 210.2
[M+CH3COO]- 471.19035 218.0
[M+Na-2H]- 433.15117 197.1
[M]+ 412.17595 208.2
[M]- 412.17705 208.2
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

No patent data available for this compound.