PubChemLite - 192525-52-3 (C30H36N4O)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NC5CCCCC5)N)N

InChI

InChI=1S/C30H36N4O/c31-29(33-25-7-3-1-4-8-25)23-15-11-21(12-16-23)27-19-20-28(35-27)22-13-17-24(18-14-22)30(32)34-26-9-5-2-6-10-26/h11-20,25-26H,1-10H2,(H2,31,33)(H2,32,34)

InChIKey

UJNPVYRWQJDTBO-UHFFFAOYSA-N

Compound name

N'-cyclohexyl-4-[5-[4-(N'-cyclohexylcarbamimidoyl)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]+	469.29618	214.0
[M+Na]+	491.27812	211.4
[M-H]-	467.28162	228.6
[M+NH4]+	486.32272	219.9
[M+K]+	507.25206	206.6
[M+H-H2O]+	451.28616	201.6
[M+HCOO]-	513.28710	232.1
[M+CH3COO]-	527.30275	219.4
[M+Na-2H]-	489.26357	209.6
[M]+	468.28835	202.6
[M]-	468.28945	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.29618

214.0

[M+Na]+

491.27812

211.4

[M-H]-

467.28162

228.6

[M+NH4]+

486.32272

219.9

[M+K]+

507.25206

206.6

[M+H-H2O]+

451.28616

201.6

[M+HCOO]-

513.28710

232.1

[M+CH3COO]-

527.30275

219.4

[M+Na-2H]-

489.26357

209.6

[M]+

468.28835

202.6

[M]-

468.28945

202.6

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

192525-52-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe