PubChemLite - 219923-05-4 (C20H24NO8P)

Structural Information

Molecular Formula

SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OP(=O)(O)O)OC)OC)OC

InChI

InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1

InChIKey

UGBMEXLBFDAOGL-INIZCTEOSA-N

Compound name

[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] dihydrogen phosphate

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]+	438.13124	196.7
[M+Na]+	460.11318	201.4
[M-H]-	436.11668	200.0
[M+NH4]+	455.15778	206.8
[M+K]+	476.08712	206.8
[M+H-H2O]+	420.12122	188.9
[M+HCOO]-	482.12216	216.9
[M+CH3COO]-	496.13781	230.1
[M+Na-2H]-	458.09863	197.5
[M]+	437.12341	200.9
[M]-	437.12451	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.13124

196.7

[M+Na]+

460.11318

201.4

[M-H]-

436.11668

200.0

[M+NH4]+

455.15778

206.8

[M+K]+

476.08712

206.8

[M+H-H2O]+

420.12122

188.9

[M+HCOO]-

482.12216

216.9

[M+CH3COO]-

496.13781

230.1

[M+Na-2H]-

458.09863

197.5

[M]+

437.12341

200.9

[M]-

437.12451

200.9

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

219923-05-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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