PubChemLite - 908846-88-8 (C26H21FN2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)F)C(=O)O

InChI

InChI=1S/C26H21FN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m0/s1

InChIKey

GIFXTRKMFUWKHR-DEOSSOPVSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)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]+	445.15581	205.1
[M+Na]+	467.13775	215.9
[M+NH4]+	462.18235	210.8
[M+K]+	483.11169	213.0
[M-H]-	443.14125	206.8
[M+Na-2H]-	465.12320	208.2
[M]+	444.14798	206.8
[M]-	444.14908	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.15581

205.1

[M+Na]+

467.13775

215.9

[M+NH4]+

462.18235

210.8

[M+K]+

483.11169

213.0

[M-H]-

443.14125

206.8

[M+Na-2H]-

465.12320

208.2

[M]+

444.14798

206.8

[M]-

444.14908

206.8

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

908846-88-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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