PubChemLite - 99606-25-4 (C15H23N2O7P)

Structural Information

Molecular Formula

SMILES

CCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COP(=O)(O3)O

InChI

InChI=1S/C15H23N2O7P/c1-2-3-4-5-6-10-8-17(15(19)16-14(10)18)13-7-11-12(23-13)9-22-25(20,21)24-11/h8,11-13H,2-7,9H2,1H3,(H,20,21)(H,16,18,19)/t11-,12+,13+/m0/s1

InChIKey

KYQHOGRRZRACQX-YNEHKIRRSA-N

Compound name

1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexylpyrimidine-2,4-dione

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]+	375.13158	185.8
[M+Na]+	397.11352	192.8
[M-H]-	373.11702	188.6
[M+NH4]+	392.15812	194.9
[M+K]+	413.08746	192.7
[M+H-H2O]+	357.12156	176.1
[M+HCOO]-	419.12250	202.4
[M+CH3COO]-	433.13815	211.6
[M+Na-2H]-	395.09897	184.9
[M]+	374.12375	189.0
[M]-	374.12485	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.13158

185.8

[M+Na]+

397.11352

192.8

[M-H]-

373.11702

188.6

[M+NH4]+

392.15812

194.9

[M+K]+

413.08746

192.7

[M+H-H2O]+

357.12156

176.1

[M+HCOO]-

419.12250

202.4

[M+CH3COO]-

433.13815

211.6

[M+Na-2H]-

395.09897

184.9

[M]+

374.12375

189.0

[M]-

374.12485

189.0

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

99606-25-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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