PubChemLite - 921769-65-5 (C16H20FN3O7)

Structural Information

Molecular Formula

SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@H]3[C@@H]([C@H](O2)C)OC(=O)O3

InChI

InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1

InChIKey

VTAMAYSBXXKQPB-UORFTKCHSA-N

Compound name

pentyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

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]+	386.13582	187.3
[M+Na]+	408.11776	195.4
[M-H]-	384.12126	193.6
[M+NH4]+	403.16236	196.8
[M+K]+	424.09170	196.0
[M+H-H2O]+	368.12580	180.0
[M+HCOO]-	430.12674	203.1
[M+CH3COO]-	444.14239	220.8
[M+Na-2H]-	406.10321	186.1
[M]+	385.12799	193.8
[M]-	385.12909	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.13582

187.3

[M+Na]+

408.11776

195.4

[M-H]-

384.12126

193.6

[M+NH4]+

403.16236

196.8

[M+K]+

424.09170

196.0

[M+H-H2O]+

368.12580

180.0

[M+HCOO]-

430.12674

203.1

[M+CH3COO]-

444.14239

220.8

[M+Na-2H]-

406.10321

186.1

[M]+

385.12799

193.8

[M]-

385.12909

193.8

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

921769-65-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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