PubChemLite - Brn 5665945 (C34H52N2O4)

Structural Information

Molecular Formula

SMILES

CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC

InChI

InChI=1S/C34H52N2O4/c1-3-5-7-15-27-39-31-23-19-29(20-24-31)33(35-37)17-13-11-9-10-12-14-18-34(36-38)30-21-25-32(26-22-30)40-28-16-8-6-4-2/h19-26,37-38H,3-18,27-28H2,1-2H3/b35-33-,36-34-

InChIKey

BWAPCYTWDFJIQW-SGRXOXICSA-N

Compound name

(NZ)-N-[(10Z)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine

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]+	553.39998	246.6
[M+Na]+	575.38192	243.8
[M-H]-	551.38542	249.4
[M+NH4]+	570.42652	249.8
[M+K]+	591.35586	238.1
[M+H-H2O]+	535.38996	234.2
[M+HCOO]-	597.39090	265.0
[M+CH3COO]-	611.40655	260.0
[M+Na-2H]-	573.36737	241.3
[M]+	552.39215	254.5
[M]-	552.39325	254.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.39998

246.6

[M+Na]+

575.38192

243.8

[M-H]-

551.38542

249.4

[M+NH4]+

570.42652

249.8

[M+K]+

591.35586

238.1

[M+H-H2O]+

535.38996

234.2

[M+HCOO]-

597.39090

265.0

[M+CH3COO]-

611.40655

260.0

[M+Na-2H]-

573.36737

241.3

[M]+

552.39215

254.5

[M]-

552.39325

254.5

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

Brn 5665945

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe