CID 452562

5'-dibupo4-3'-oett

Structural Information

Molecular Formula
C20H35N2O8P
SMILES
CCCCOP(=O)(OCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C20H35N2O8P/c1-5-8-10-27-31(25,28-11-9-6-2)29-14-17-16(26-7-3)12-18(30-17)22-13-15(4)19(23)21-20(22)24/h13,16-18H,5-12,14H2,1-4H3,(H,21,23,24)/t16-,17+,18+/m0/s1
InChIKey
GQEGNAKXYDGYHG-RCCFBDPRSA-N
Compound name
dibutyl [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.2131 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.22038 208.1
[M+Na]+ 485.20232 212.5
[M-H]- 461.20582 209.7
[M+NH4]+ 480.24692 214.2
[M+K]+ 501.17626 212.0
[M+H-H2O]+ 445.21036 196.9
[M+HCOO]- 507.21130 228.4
[M+CH3COO]- 521.22695 231.8
[M+Na-2H]- 483.18777 204.5
[M]+ 462.21255 218.4
[M]- 462.21365 218.4
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

No patent data available for this compound.