PubChemLite - 68310-04-3 (C32H42N4O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NN=C2C(=O)C=CC(=NNC3=C(C=C(C=C3)C)C)C2=O

InChI

InChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3

InChIKey

RNYLPFLJEGTSBN-UHFFFAOYSA-N

Compound name

6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione

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]+	515.33803	233.5
[M+Na]+	537.31997	237.0
[M-H]-	513.32347	244.4
[M+NH4]+	532.36457	239.9
[M+K]+	553.29391	229.7
[M+H-H2O]+	497.32801	220.2
[M+HCOO]-	559.32895	260.6
[M+CH3COO]-	573.34460	263.5
[M+Na-2H]-	535.30542	232.7
[M]+	514.33020	238.8
[M]-	514.33130	238.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.33803

233.5

[M+Na]+

537.31997

237.0

[M-H]-

513.32347

244.4

[M+NH4]+

532.36457

239.9

[M+K]+

553.29391

229.7

[M+H-H2O]+

497.32801

220.2

[M+HCOO]-

559.32895

260.6

[M+CH3COO]-

573.34460

263.5

[M+Na-2H]-

535.30542

232.7

[M]+

514.33020

238.8

[M]-

514.33130

238.8

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

68310-04-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe