PubChemLite - 2,5-bis-[4-cyclopropylamidino]phenyl-3-methylfuran dihydrochloride (C25H26N4O)

Structural Information

Molecular Formula

SMILES

CC1=C(OC(=C1)C2=CC=C(C=C2)C(=NC3CC3)N)C4=CC=C(C=C4)C(=NC5CC5)N

InChI

InChI=1S/C25H26N4O/c1-15-14-22(16-2-6-18(7-3-16)24(26)28-20-10-11-20)30-23(15)17-4-8-19(9-5-17)25(27)29-21-12-13-21/h2-9,14,20-21H,10-13H2,1H3,(H2,26,28)(H2,27,29)

InChIKey

GHATWYQIFKMPFZ-UHFFFAOYSA-N

Compound name

N'-cyclopropyl-4-[5-[4-(N'-cyclopropylcarbamimidoyl)phenyl]-4-methylfuran-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]+	399.21794	180.2
[M+Na]+	421.19988	185.3
[M-H]-	397.20338	196.1
[M+NH4]+	416.24448	181.4
[M+K]+	437.17382	181.9
[M+H-H2O]+	381.20792	173.7
[M+HCOO]-	443.20886	204.0
[M+CH3COO]-	457.22451	188.7
[M+Na-2H]-	419.18533	180.0
[M]+	398.21011	183.0
[M]-	398.21121	183.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.21794

180.2

[M+Na]+

421.19988

185.3

[M-H]-

397.20338

196.1

[M+NH4]+

416.24448

181.4

[M+K]+

437.17382

181.9

[M+H-H2O]+

381.20792

173.7

[M+HCOO]-

443.20886

204.0

[M+CH3COO]-

457.22451

188.7

[M+Na-2H]-

419.18533

180.0

[M]+

398.21011

183.0

[M]-

398.21121

183.0

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

2,5-bis-[4-cyclopropylamidino]phenyl-3-methylfuran dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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