PubChemLite - 1219392-55-8 (C26H21FN2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=CC(=C5)F)C(=O)O

InChI

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

InChIKey

ZNQAUDMHOJUTJL-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-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	202.8
[M+Na]+	467.13775	209.0
[M-H]-	443.14125	207.9
[M+NH4]+	462.18235	214.9
[M+K]+	483.11169	202.7
[M+H-H2O]+	427.14579	194.3
[M+HCOO]-	489.14673	218.7
[M+CH3COO]-	503.16238	210.7
[M+Na-2H]-	465.12320	202.3
[M]+	444.14798	204.5
[M]-	444.14908	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.15581

202.8

[M+Na]+

467.13775

209.0

[M-H]-

443.14125

207.9

[M+NH4]+

462.18235

214.9

[M+K]+

483.11169

202.7

[M+H-H2O]+

427.14579

194.3

[M+HCOO]-

489.14673

218.7

[M+CH3COO]-

503.16238

210.7

[M+Na-2H]-

465.12320

202.3

[M]+

444.14798

204.5

[M]-

444.14908

204.5

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

1219392-55-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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