CID 6450298

2-butenoic acid, 4-((4-ethoxyphenyl)azo)phenyl ester

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)/C=C/C
InChI
InChI=1S/C18H18N2O3/c1-3-5-18(21)23-17-12-8-15(9-13-17)20-19-14-6-10-16(11-7-14)22-4-2/h3,5-13H,4H2,1-2H3/b5-3+,20-19?
InChIKey
PEWVGVYDLKCRJJ-OQYCZIKTSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

310.13174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.6
[M+Na]+ 333.120958 178.9
[M-H]- 309.124464 181.8
[M+NH4]+ 328.165563 187.8
[M+K]+ 349.094898 176.3
[M+H-H2O]+ 293.129000 163.1
[M+HCOO]- 355.129941 200.9
[M+CH3COO]- 369.145591 213.9
[M+Na-2H]- 331.106406 177.5
[M]+ 310.13119142 177.4
[M]- 310.13228858 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.