252554-78-2 (C24H26N2O6)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H26N2O6/c1-14(21(27)26-20(22(28)29)13-32-24(26,2)3)25-23(30)31-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,25,30)(H,28,29)/t14-,20-/m0/s1

InChIKey

QMRGOZHWQFEGGB-XOBRGWDASA-N

Compound name

(4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

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]+	439.186356	204.1
[M+Na]+	461.168298	208.5
[M-H]-	437.171804	210.6
[M+NH4]+	456.212903	216.8
[M+K]+	477.142238	207.0
[M+H-H2O]+	421.176340	197.8
[M+HCOO]-	483.177281	217.9
[M+CH3COO]-	497.192931	229.9
[M+Na-2H]-	459.153746	201.3
[M]+	438.17853142	207.3
[M]-	438.17962858	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.186356

204.1

[M+Na]+

461.168298

208.5

[M-H]-

437.171804

210.6

[M+NH4]+

456.212903

216.8

[M+K]+

477.142238

207.0

[M+H-H2O]+

421.176340

197.8

[M+HCOO]-

483.177281

217.9

[M+CH3COO]-

497.192931

229.9

[M+Na-2H]-

459.153746

201.3

[M]+

438.17853142

207.3

[M]-

438.17962858

207.3

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

252554-78-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe