PubChemLite - Hdp-hpmp-5fc (C27H51FN3O7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=C(C(=NC1=O)N)F)CO)O

InChI

InChI=1S/C27H51FN3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-36-18-16-19-38-39(34,35)23-37-24(22-32)20-31-21-25(28)26(29)30-27(31)33/h21,24,32H,2-20,22-23H2,1H3,(H,34,35)(H2,29,30,33)/t24-/m0/s1

InChIKey

HIZGJCZCJWCGTF-DEOSSOPVSA-N

Compound name

[(2S)-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

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]+	580.35213	226.9
[M+Na]+	602.33407	233.6
[M-H]-	578.33757	220.3
[M+NH4]+	597.37867	227.2
[M+K]+	618.30801	225.9
[M+H-H2O]+	562.34211	218.0
[M+HCOO]-	624.34305	239.9
[M+CH3COO]-	638.35870	256.8
[M+Na-2H]-	600.31952	210.6
[M]+	579.34430	221.0
[M]-	579.34540	221.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

580.35213

226.9

[M+Na]+

602.33407

233.6

[M-H]-

578.33757

220.3

[M+NH4]+

597.37867

227.2

[M+K]+

618.30801

225.9

[M+H-H2O]+

562.34211

218.0

[M+HCOO]-

624.34305

239.9

[M+CH3COO]-

638.35870

256.8

[M+Na-2H]-

600.31952

210.6

[M]+

579.34430

221.0

[M]-

579.34540

221.0

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

Hdp-hpmp-5fc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe