PubChemLite - 756526-02-0 (C34H49NO12)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C34H49NO12/c36-33(37)9-11-39-13-15-41-17-19-43-21-23-45-25-26-46-24-22-44-20-18-42-16-14-40-12-10-35-34(38)47-27-32-30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-8,32H,9-27H2,(H,35,38)(H,36,37)

InChIKey

VYXGUCLTEWCVRY-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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]+	664.33278	251.0
[M+Na]+	686.31472	246.7
[M-H]-	662.31822	250.8
[M+NH4]+	681.35932	252.0
[M+K]+	702.28866	247.0
[M+H-H2O]+	646.32276	239.7
[M+HCOO]-	708.32370	266.6
[M+CH3COO]-	722.33935	267.3
[M+Na-2H]-	684.30017	249.9
[M]+	663.32495	269.3
[M]-	663.32605	269.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.33278

251.0

[M+Na]+

686.31472

246.7

[M-H]-

662.31822

250.8

[M+NH4]+

681.35932

252.0

[M+K]+

702.28866

247.0

[M+H-H2O]+

646.32276

239.7

[M+HCOO]-

708.32370

266.6

[M+CH3COO]-

722.33935

267.3

[M+Na-2H]-

684.30017

249.9

[M]+

663.32495

269.3

[M]-

663.32605

269.3

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

756526-02-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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