CID 365444

Nsc633069

Structural Information

Molecular Formula
C42H64FN3O10
SMILES
CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C42H64FN3O10/c1-3-5-7-9-11-13-15-17-22-26-34(47)53-30-33-37(49)38(56-35(48)27-23-18-16-14-12-10-8-6-4-2)36(44-42(52)54-29-31-24-20-19-21-25-31)40(55-33)46-28-32(43)39(50)45-41(46)51/h19-21,24-25,28,33,36-38,40,49H,3-18,22-23,26-27,29-30H2,1-2H3,(H,44,52)(H,45,50,51)
InChIKey
AURILSGLSMUQHO-UHFFFAOYSA-N
Compound name
[4-dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

789.4576 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.46488 292.9
[M+Na]+ 812.44682 287.7
[M-H]- 788.45032 292.6
[M+NH4]+ 807.49142 266.8
[M+K]+ 828.42076 284.6
[M+H-H2O]+ 772.45486 277.3
[M+HCOO]- 834.45580 279.5
[M+CH3COO]- 848.47145 295.6
[M+Na-2H]- 810.43227 280.6
[M]+ 789.45705 301.5
[M]- 789.45815 301.5
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.