PubChemLite - Nsc662427 (C24H38FN5O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC(C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])F

InChI

InChI=1S/C24H38FN5O5/c1-3-4-5-6-7-8-9-10-11-12-13-18(25)23(32)34-16-20-19(28-29-26)14-21(35-20)30-15-17(2)22(31)27-24(30)33/h15,18-21H,3-14,16H2,1-2H3,(H,27,31,33)/t18?,19-,20+,21+/m0/s1

InChIKey

NMQHATBSLFOIAP-CIKZGZDFSA-N

Compound name

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

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]+	496.29298	224.7
[M+Na]+	518.27492	226.4
[M-H]-	494.27842	228.0
[M+NH4]+	513.31952	228.8
[M+K]+	534.24886	217.7
[M+H-H2O]+	478.28296	217.2
[M+HCOO]-	540.28390	243.4
[M+CH3COO]-	554.29955	242.7
[M+Na-2H]-	516.26037	222.8
[M]+	495.28515	226.5
[M]-	495.28625	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.29298

224.7

[M+Na]+

518.27492

226.4

[M-H]-

494.27842

228.0

[M+NH4]+

513.31952

228.8

[M+K]+

534.24886

217.7

[M+H-H2O]+

478.28296

217.2

[M+HCOO]-

540.28390

243.4

[M+CH3COO]-

554.29955

242.7

[M+Na-2H]-

516.26037

222.8

[M]+

495.28515

226.5

[M]-

495.28625

226.5

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

Nsc662427

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe