CID 85458

16494-27-2

Structural Information

Molecular Formula

C₂₅H₃₂N₂O₃

SMILES

CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CCCCCCCCC=C

InChI

InChI=1S/C25H32N2O3/c1-3-5-6-7-8-9-10-11-12-25(28)30-24-19-15-22(16-20-24)27-26-21-13-17-23(18-14-21)29-4-2/h3,13-20H,1,4-12H2,2H3

InChIKey

RRJWBVYCQCURLH-UHFFFAOYSA-N

Compound name

[4-[(4-ethoxyphenyl)diazenyl]phenyl] undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 408.2413 Da
Monoisotopic Mass: 7.9
XlogP (predicted)

Profile

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]+	409.24858	204.7
[M+Na]+	431.23052	216.0
[M+NH4]+	426.27512	210.4
[M+K]+	447.20446	206.3
[M-H]-	407.23402	209.5
[M+Na-2H]-	429.21597	211.5
[M]+	408.24075	207.5
[M]-	408.24185	207.5

Literature stripe

literature stripe

Patent stripe

patents stripe