PubChemLite - N-(3-methoxypropyl)-4-[5-[4-[n-(3-methoxypropyl)carbamimidoyl]phenyl]-2-furyl]benzamidine (C26H32N4O3)

Structural Information

Molecular Formula

SMILES

COCCCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCCOC)N)N

InChI

InChI=1S/C26H32N4O3/c1-31-17-3-15-29-25(27)21-9-5-19(6-10-21)23-13-14-24(33-23)20-7-11-22(12-8-20)26(28)30-16-4-18-32-2/h5-14H,3-4,15-18H2,1-2H3,(H2,27,29)(H2,28,30)

InChIKey

PLTCQGZPOIAYKA-UHFFFAOYSA-N

Compound name

N'-(3-methoxypropyl)-4-[5-[4-[N'-(3-methoxypropyl)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]+	449.25472	214.6
[M+Na]+	471.23666	216.8
[M-H]-	447.24016	225.8
[M+NH4]+	466.28126	223.0
[M+K]+	487.21060	213.9
[M+H-H2O]+	431.24470	203.1
[M+HCOO]-	493.24564	240.6
[M+CH3COO]-	507.26129	246.2
[M+Na-2H]-	469.22211	213.3
[M]+	448.24689	218.0
[M]-	448.24799	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.25472

214.6

[M+Na]+

471.23666

216.8

[M-H]-

447.24016

225.8

[M+NH4]+

466.28126

223.0

[M+K]+

487.21060

213.9

[M+H-H2O]+

431.24470

203.1

[M+HCOO]-

493.24564

240.6

[M+CH3COO]-

507.26129

246.2

[M+Na-2H]-

469.22211

213.3

[M]+

448.24689

218.0

[M]-

448.24799

218.0

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

N-(3-methoxypropyl)-4-[5-[4-[n-(3-methoxypropyl)carbamimidoyl]phenyl]-2-furyl]benzamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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