CID 365441

Nsc633066

Structural Information

Molecular Formula
C38H66FN3O8
SMILES
CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C38H66FN3O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(43)48-28-30-34(45)35(33(40)37(49-30)42-27-29(39)36(46)41-38(42)47)50-32(44)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,30,33-35,37,45H,3-26,28,40H2,1-2H3,(H,41,46,47)
InChIKey
DISRBWUMDCYDLU-UHFFFAOYSA-N
Compound name
[5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxyoxan-2-yl]methyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

711.4834 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.49068 280.8
[M+Na]+ 734.47262 266.4
[M-H]- 710.47612 252.6
[M+NH4]+ 729.51722 259.6
[M+K]+ 750.44656 272.2
[M+H-H2O]+ 694.48066 267.0
[M+HCOO]- 756.48160 273.8
[M+CH3COO]- 770.49725 284.5
[M+Na-2H]- 732.45807 267.1
[M]+ 711.48285 251.8
[M]- 711.48395 251.8
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.