PubChemLite - 169243-86-1 (C24H20FNO4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

InChIKey

IXUMACXMEZBPJG-QFIPXVFZSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic 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]+	406.14491	196.2
[M+Na]+	428.12685	207.1
[M+NH4]+	423.17145	202.5
[M+K]+	444.10079	202.1
[M-H]-	404.13035	198.6
[M+Na-2H]-	426.11230	200.7
[M]+	405.13708	198.2
[M]-	405.13818	198.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.14491

196.2

[M+Na]+

428.12685

207.1

[M+NH4]+

423.17145

202.5

[M+K]+

444.10079

202.1

[M-H]-

404.13035

198.6

[M+Na-2H]-

426.11230

200.7

[M]+

405.13708

198.2

[M]-

405.13818

198.2

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

169243-86-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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