PubChemLite - 117309-93-0 (C15H24N3O7P)

Structural Information

Molecular Formula

SMILES

CCCCCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O

InChI

InChI=1S/C15H24N3O7P/c1-2-3-4-5-6-9-7-18(15(20)17-13(9)16)14-11(19)12-10(24-14)8-23-26(21,22)25-12/h7,10-12,14,19H,2-6,8H2,1H3,(H,21,22)(H2,16,17,20)/t10?,11-,12?,14-/m1/s1

InChIKey

ODDHMSGOOBXQTJ-YFTKGUKSSA-N

Compound name

4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-hexylpyrimidin-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]+	390.14248	192.2
[M+Na]+	412.12442	198.8
[M-H]-	388.12792	194.8
[M+NH4]+	407.16902	200.3
[M+K]+	428.09836	199.0
[M+H-H2O]+	372.13246	182.3
[M+HCOO]-	434.13340	208.9
[M+CH3COO]-	448.14905	218.8
[M+Na-2H]-	410.10987	190.4
[M]+	389.13465	194.9
[M]-	389.13575	194.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.14248

192.2

[M+Na]+

412.12442

198.8

[M-H]-

388.12792

194.8

[M+NH4]+

407.16902

200.3

[M+K]+

428.09836

199.0

[M+H-H2O]+

372.13246

182.3

[M+HCOO]-

434.13340

208.9

[M+CH3COO]-

448.14905

218.8

[M+Na-2H]-

410.10987

190.4

[M]+

389.13465

194.9

[M]-

389.13575

194.9

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

117309-93-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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