PubChemLite - Benzenecarboximidamide, 4,4'-(1,4-piperazinediyl)bis[n-phenyl- (C30H30N6)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=NC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=NC5=CC=CC=C5)N

InChI

InChI=1S/C30H30N6/c31-29(33-25-7-3-1-4-8-25)23-11-15-27(16-12-23)35-19-21-36(22-20-35)28-17-13-24(14-18-28)30(32)34-26-9-5-2-6-10-26/h1-18H,19-22H2,(H2,31,33)(H2,32,34)

InChIKey

BLPWWZNHCRIKLJ-UHFFFAOYSA-N

Compound name

N'-phenyl-4-[4-[4-(N'-phenylcarbamimidoyl)phenyl]piperazin-1-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]+	475.26048	213.7
[M+Na]+	497.24242	214.1
[M-H]-	473.24592	225.8
[M+NH4]+	492.28702	216.1
[M+K]+	513.21636	206.2
[M+H-H2O]+	457.25046	198.5
[M+HCOO]-	519.25140	233.0
[M+CH3COO]-	533.26705	218.8
[M+Na-2H]-	495.22787	215.6
[M]+	474.25265	204.5
[M]-	474.25375	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.26048

213.7

[M+Na]+

497.24242

214.1

[M-H]-

473.24592

225.8

[M+NH4]+

492.28702

216.1

[M+K]+

513.21636

206.2

[M+H-H2O]+

457.25046

198.5

[M+HCOO]-

519.25140

233.0

[M+CH3COO]-

533.26705

218.8

[M+Na-2H]-

495.22787

215.6

[M]+

474.25265

204.5

[M]-

474.25375

204.5

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

Benzenecarboximidamide, 4,4'-(1,4-piperazinediyl)bis[n-phenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe