CID 3084906

49759-21-9

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)C=CC
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
InChIKey
PEWVGVYDLKCRJJ-UHFFFAOYSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

310.13174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.7
[M+Na]+ 333.12096 186.5
[M+NH4]+ 328.16556 180.7
[M+K]+ 349.09490 178.4
[M-H]- 309.12446 178.8
[M+Na-2H]- 331.10641 182.4
[M]+ 310.13119 176.8
[M]- 310.13229 176.8
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

patents stripe