PubChemLite - Olp-ccdv (C28H50N3O6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCOCCCOP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N

InChI

InChI=1S/C28H50N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-21-17-22-36-38(33)25-35-26(24-37-38)23-31-19-18-27(29)30-28(31)32/h9-10,18-19,26H,2-8,11-17,20-25H2,1H3,(H2,29,30,32)/b10-9-/t26-,38?/m0/s1

InChIKey

HXFHABSJBWALLP-JDPSWJKFSA-N

Compound name

4-amino-1-[[(5S)-2-[3-[(Z)-heptadec-8-enoxy]propoxy]-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one

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]+	556.35103	243.7
[M+Na]+	578.33297	243.0
[M-H]-	554.33647	243.8
[M+NH4]+	573.37757	244.2
[M+K]+	594.30691	240.4
[M+H-H2O]+	538.34101	228.9
[M+HCOO]-	600.34195	261.2
[M+CH3COO]-	614.35760	254.4
[M+Na-2H]-	576.31842	238.2
[M]+	555.34320	252.2
[M]-	555.34430	252.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.35103

243.7

[M+Na]+

578.33297

243.0

[M-H]-

554.33647

243.8

[M+NH4]+

573.37757

244.2

[M+K]+

594.30691

240.4

[M+H-H2O]+

538.34101

228.9

[M+HCOO]-

600.34195

261.2

[M+CH3COO]-

614.35760

254.4

[M+Na-2H]-

576.31842

238.2

[M]+

555.34320

252.2

[M]-

555.34430

252.2

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

Olp-ccdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe