PubChemLite - 93603-76-0 (C20H33NO4S2Si)

Structural Information

Molecular Formula

SMILES

CCCSC1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OCC=C

InChI

InChI=1S/C20H33NO4S2Si/c1-9-11-24-18(23)15-19(26-12-10-2)27-17-14(16(22)21(15)17)13(3)25-28(7,8)20(4,5)6/h9,13-14,17H,1,10-12H2,2-8H3/t13-,14+,17-/m1/s1

InChIKey

JFTTZXLBJMJLJT-JKIFEVAISA-N

Compound name

prop-2-enyl (5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-3-propylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

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]+	444.16930	204.8
[M+Na]+	466.15124	205.9
[M-H]-	442.15474	205.4
[M+NH4]+	461.19584	210.3
[M+K]+	482.12518	205.5
[M+H-H2O]+	426.15928	193.0
[M+HCOO]-	488.16022	206.3
[M+CH3COO]-	502.17587	230.5
[M+Na-2H]-	464.13669	198.5
[M]+	443.16147	221.8
[M]-	443.16257	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.16930

204.8

[M+Na]+

466.15124

205.9

[M-H]-

442.15474

205.4

[M+NH4]+

461.19584

210.3

[M+K]+

482.12518

205.5

[M+H-H2O]+

426.15928

193.0

[M+HCOO]-

488.16022

206.3

[M+CH3COO]-

502.17587

230.5

[M+Na-2H]-

464.13669

198.5

[M]+

443.16147

221.8

[M]-

443.16257

221.8

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

93603-76-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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