PubChemLite - 4-pyrrolidin-1-yl-1-[4-(4-pyrrolidin-1-ylbutanoyl)fluoranthen-8-yl]butan-1-one (C32H36N2O2)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)CCCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCCN6CCCC6

InChI

InChI=1S/C32H36N2O2/c35-30(10-6-20-33-16-1-2-17-33)23-12-13-24-26-8-5-9-27-25(14-15-28(32(26)27)29(24)22-23)31(36)11-7-21-34-18-3-4-19-34/h5,8-9,12-15,22H,1-4,6-7,10-11,16-21H2

InChIKey

WWMLVBWQBANMBL-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-yl-1-[4-(4-pyrrolidin-1-ylbutanoyl)fluoranthen-8-yl]butan-1-one

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]+	481.28496	221.9
[M+Na]+	503.26690	223.6
[M-H]-	479.27040	229.6
[M+NH4]+	498.31150	234.0
[M+K]+	519.24084	216.2
[M+H-H2O]+	463.27494	212.0
[M+HCOO]-	525.27588	233.0
[M+CH3COO]-	539.29153	227.5
[M+Na-2H]-	501.25235	212.8
[M]+	480.27713	221.5
[M]-	480.27823	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.28496

221.9

[M+Na]+

503.26690

223.6

[M-H]-

479.27040

229.6

[M+NH4]+

498.31150

234.0

[M+K]+

519.24084

216.2

[M+H-H2O]+

463.27494

212.0

[M+HCOO]-

525.27588

233.0

[M+CH3COO]-

539.29153

227.5

[M+Na-2H]-

501.25235

212.8

[M]+

480.27713

221.5

[M]-

480.27823

221.5

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

4-pyrrolidin-1-yl-1-[4-(4-pyrrolidin-1-ylbutanoyl)fluoranthen-8-yl]butan-1-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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