PubChemLite - 36417-33-1 (C33H48N2O4)

Structural Information

Molecular Formula

SMILES

CC(C)(CCCN(C)C)COC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)OCC(C)(C)CCCN(C)C

InChI

InChI=1S/C33H48N2O4/c1-32(2,15-9-17-34(5)6)22-38-30(36)24-11-13-28-26(19-24)21-27-20-25(12-14-29(27)28)31(37)39-23-33(3,4)16-10-18-35(7)8/h11-14,19-20H,9-10,15-18,21-23H2,1-8H3

InChIKey

UAQMWFHSAXFNFX-UHFFFAOYSA-N

Compound name

bis[5-(dimethylamino)-2,2-dimethylpentyl] 9H-fluorene-2,7-dicarboxylate

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]+	537.36868	242.4
[M+Na]+	559.35062	242.8
[M-H]-	535.35412	248.1
[M+NH4]+	554.39522	252.1
[M+K]+	575.32456	241.2
[M+H-H2O]+	519.35866	234.0
[M+HCOO]-	581.35960	257.6
[M+CH3COO]-	595.37525	264.7
[M+Na-2H]-	557.33607	239.8
[M]+	536.36085	252.7
[M]-	536.36195	252.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.36868

242.4

[M+Na]+

559.35062

242.8

[M-H]-

535.35412

248.1

[M+NH4]+

554.39522

252.1

[M+K]+

575.32456

241.2

[M+H-H2O]+

519.35866

234.0

[M+HCOO]-

581.35960

257.6

[M+CH3COO]-

595.37525

264.7

[M+Na-2H]-

557.33607

239.8

[M]+

536.36085

252.7

[M]-

536.36195

252.7

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

36417-33-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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