CID 365435

Nsc633060

Structural Information

Molecular Formula
C22H36FN3O7
SMILES
CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O
InChI
InChI=1S/C22H36FN3O7/c1-2-3-4-5-6-7-8-9-10-11-16(27)32-13-15-18(28)19(29)17(24)21(33-15)26-12-14(23)20(30)25-22(26)31/h12,15,17-19,21,28-29H,2-11,13,24H2,1H3,(H,25,30,31)
InChIKey
NQLZXADLJIRZDJ-UHFFFAOYSA-N
Compound name
[5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxan-2-yl]methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.25372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.26100 215.8
[M+Na]+ 496.24294 219.5
[M-H]- 472.24644 213.8
[M+NH4]+ 491.28754 217.4
[M+K]+ 512.21688 215.4
[M+H-H2O]+ 456.25098 204.8
[M+HCOO]- 518.25192 224.9
[M+CH3COO]- 532.26757 235.7
[M+Na-2H]- 494.22839 209.4
[M]+ 473.25317 216.8
[M]- 473.25427 216.8
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.