PubChemLite - Nsc662426 (C24H39FN2O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F

InChI

InChI=1S/C24H39FN2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(28)31-17-20-19(25)15-21(32-20)27-16-18(2)23(29)26-24(27)30/h16,19-21H,3-15,17H2,1-2H3,(H,26,29,30)/t19-,20+,21+/m0/s1

InChIKey

KVHGOPRFLRMFDT-PWRODBHTSA-N

Compound name

[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl tetradecanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	455.29158	213.4
[M+Na]+	477.27352	217.6
[M-H]-	453.27702	214.1
[M+NH4]+	472.31812	219.6
[M+K]+	493.24746	213.0
[M+H-H2O]+	437.28156	202.9
[M+HCOO]-	499.28250	226.5
[M+CH3COO]-	513.29815	232.3
[M+Na-2H]-	475.25897	207.0
[M]+	454.28375	218.8
[M]-	454.28485	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.29158

213.4

[M+Na]+

477.27352

217.6

[M-H]-

453.27702

214.1

[M+NH4]+

472.31812

219.6

[M+K]+

493.24746

213.0

[M+H-H2O]+

437.28156

202.9

[M+HCOO]-

499.28250

226.5

[M+CH3COO]-

513.29815

232.3

[M+Na-2H]-

475.25897

207.0

[M]+

454.28375

218.8

[M]-

454.28485

218.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nsc662426

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe