PubChemLite - 4,4'-furan-2,5-diylbis[n-(3-pyrrolidin-1-ylpropyl)benzenecarboximidamide] (C32H42N6O)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)CCCN=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NCCCN5CCCC5)N)N

InChI

InChI=1S/C32H42N6O/c33-31(35-17-5-23-37-19-1-2-20-37)27-11-7-25(8-12-27)29-15-16-30(39-29)26-9-13-28(14-10-26)32(34)36-18-6-24-38-21-3-4-22-38/h7-16H,1-6,17-24H2,(H2,33,35)(H2,34,36)

InChIKey

WLPWZNMPCIBSGZ-UHFFFAOYSA-N

Compound name

N'-(3-pyrrolidin-1-ylpropyl)-4-[5-[4-[N'-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide

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]+	527.34928	224.4
[M+Na]+	549.33122	222.0
[M-H]-	525.33472	238.5
[M+NH4]+	544.37582	229.5
[M+K]+	565.30516	217.4
[M+H-H2O]+	509.33926	212.1
[M+HCOO]-	571.34020	244.1
[M+CH3COO]-	585.35585	229.5
[M+Na-2H]-	547.31667	216.7
[M]+	526.34145	219.8
[M]-	526.34255	219.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.34928

224.4

[M+Na]+

549.33122

222.0

[M-H]-

525.33472

238.5

[M+NH4]+

544.37582

229.5

[M+K]+

565.30516

217.4

[M+H-H2O]+

509.33926

212.1

[M+HCOO]-

571.34020

244.1

[M+CH3COO]-

585.35585

229.5

[M+Na-2H]-

547.31667

216.7

[M]+

526.34145

219.8

[M]-

526.34255

219.8

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

4,4'-furan-2,5-diylbis[n-(3-pyrrolidin-1-ylpropyl)benzenecarboximidamide]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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