PubChemLite - Talampicillin (C24H23N3O6S)

Structural Information

Molecular Formula

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C

InChI

InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1

InChIKey

SOROUYSPFADXSN-SUWVAFIASA-N

Compound name

(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-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]+	482.13805	211.3
[M+Na]+	504.11999	213.2
[M-H]-	480.12349	220.5
[M+NH4]+	499.16459	215.9
[M+K]+	520.09393	215.2
[M+H-H2O]+	464.12803	199.3
[M+HCOO]-	526.12897	220.8
[M+CH3COO]-	540.14462	242.2
[M+Na-2H]-	502.10544	206.8
[M]+	481.13022	223.2
[M]-	481.13132	223.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.13805

211.3

[M+Na]+

504.11999

213.2

[M-H]-

480.12349

220.5

[M+NH4]+

499.16459

215.9

[M+K]+

520.09393

215.2

[M+H-H2O]+

464.12803

199.3

[M+HCOO]-

526.12897

220.8

[M+CH3COO]-

540.14462

242.2

[M+Na-2H]-

502.10544

206.8

[M]+

481.13022

223.2

[M]-

481.13132

223.2

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

Talampicillin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe