PubChemLite - 192525-48-7 (C26H32N4O)

Structural Information

Molecular Formula

SMILES

CC(C)CN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCC(C)C)N)N

InChI

InChI=1S/C26H32N4O/c1-17(2)15-29-25(27)21-9-5-19(6-10-21)23-13-14-24(31-23)20-7-11-22(12-8-20)26(28)30-16-18(3)4/h5-14,17-18H,15-16H2,1-4H3,(H2,27,29)(H2,28,30)

InChIKey

PBAGYELZEOEOPH-UHFFFAOYSA-N

Compound name

N'-(2-methylpropyl)-4-[5-[4-[N'-(2-methylpropyl)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]+	417.26488	211.7
[M+Na]+	439.24682	213.7
[M-H]-	415.25032	223.2
[M+NH4]+	434.29142	221.5
[M+K]+	455.22076	210.6
[M+H-H2O]+	399.25486	201.1
[M+HCOO]-	461.25580	235.3
[M+CH3COO]-	475.27145	243.7
[M+Na-2H]-	437.23227	207.6
[M]+	416.25705	211.3
[M]-	416.25815	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.26488

211.7

[M+Na]+

439.24682

213.7

[M-H]-

415.25032

223.2

[M+NH4]+

434.29142

221.5

[M+K]+

455.22076

210.6

[M+H-H2O]+

399.25486

201.1

[M+HCOO]-

461.25580

235.3

[M+CH3COO]-

475.27145

243.7

[M+Na-2H]-

437.23227

207.6

[M]+

416.25705

211.3

[M]-

416.25815

211.3

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

192525-48-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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