PubChemLite - Amenamevir (C24H26N4O5S)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4

InChI

InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)

InChIKey

MNHNIVNAFBSLLX-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide

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]+	483.16966	208.0
[M+Na]+	505.15160	218.4
[M+NH4]+	500.19620	213.7
[M+K]+	521.12554	212.1
[M-H]-	481.15510	214.8
[M+Na-2H]-	503.13705	216.7
[M]+	482.16183	211.7
[M]-	482.16293	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.16966

208.0

[M+Na]+

505.15160

218.4

[M+NH4]+

500.19620

213.7

[M+K]+

521.12554

212.1

[M-H]-

481.15510

214.8

[M+Na-2H]-

503.13705

216.7

[M]+

482.16183

211.7

[M]-

482.16293

211.7

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

Amenamevir

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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