PubChemLite - Tribendimidine (C28H32N6)

Structural Information

Molecular Formula

SMILES

CC(=NC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)N=C(C)N(C)C)N(C)C

InChI

InChI=1S/C28H32N6/c1-21(33(3)4)31-27-15-11-25(12-16-27)29-19-23-7-9-24(10-8-23)20-30-26-13-17-28(18-14-26)32-22(2)34(5)6/h7-20H,1-6H3

InChIKey

XOIOGKHKNQYULW-UHFFFAOYSA-N

Compound name

N'-[4-[[4-[[4-[1-(dimethylamino)ethylideneamino]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-N,N-dimethylethanimidamide

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]+	453.27614	218.4
[M+Na]+	475.25808	229.6
[M+NH4]+	470.30268	225.0
[M+K]+	491.23202	220.0
[M-H]-	451.26158	229.3
[M+Na-2H]-	473.24353	229.2
[M]+	452.26831	222.9
[M]-	452.26941	222.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.27614

218.4

[M+Na]+

475.25808

229.6

[M+NH4]+

470.30268

225.0

[M+K]+

491.23202

220.0

[M-H]-

451.26158

229.3

[M+Na-2H]-

473.24353

229.2

[M]+

452.26831

222.9

[M]-

452.26941

222.9

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

Tribendimidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe