CID 365443

Nsc633068

Structural Information

Molecular Formula
C38H56FN3O10
SMILES
CCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCC)O
InChI
InChI=1S/C38H56FN3O10/c1-3-5-7-9-11-13-18-22-30(43)49-26-29-33(45)34(52-31(44)23-19-14-12-10-8-6-4-2)32(40-38(48)50-25-27-20-16-15-17-21-27)36(51-29)42-24-28(39)35(46)41-37(42)47/h15-17,20-21,24,29,32-34,36,45H,3-14,18-19,22-23,25-26H2,1-2H3,(H,40,48)(H,41,46,47)
InChIKey
DIAVIKUNHICSLA-UHFFFAOYSA-N
Compound name
[4-decanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

733.39496 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.40224 277.7
[M+Na]+ 756.38418 274.4
[M-H]- 732.38768 278.3
[M+NH4]+ 751.42878 268.1
[M+K]+ 772.35812 271.8
[M+H-H2O]+ 716.39222 262.7
[M+HCOO]- 778.39316 283.5
[M+CH3COO]- 792.40881 285.0
[M+Na-2H]- 754.36963 267.1
[M]+ 733.39441 285.2
[M]- 733.39551 285.2
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.