PubChemLite - Cefcapene pivoxil (C23H29N5O8S2)

Structural Information

Molecular Formula

SMILES

CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C23H29N5O8S2/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29)/b12-6-/t14-,18-/m1/s1

InChIKey

WVPAABNYMHNFJG-QDVBXLKVSA-N

Compound name

2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-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]+	568.15303	233.6
[M+Na]+	590.13497	228.1
[M-H]-	566.13847	233.4
[M+NH4]+	585.17957	228.5
[M+K]+	606.10891	230.5
[M+H-H2O]+	550.14301	217.8
[M+HCOO]-	612.14395	233.6
[M+CH3COO]-	626.15960	256.9
[M+Na-2H]-	588.12042	226.7
[M]+	567.14520	245.2
[M]-	567.14630	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.15303

233.6

[M+Na]+

590.13497

228.1

[M-H]-

566.13847

233.4

[M+NH4]+

585.17957

228.5

[M+K]+

606.10891

230.5

[M+H-H2O]+

550.14301

217.8

[M+HCOO]-

612.14395

233.6

[M+CH3COO]-

626.15960

256.9

[M+Na-2H]-

588.12042

226.7

[M]+

567.14520

245.2

[M]-

567.14630

245.2

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

Cefcapene pivoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe