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

35
Patents

310.13174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.6
[M+Na]+ 333.12096 178.9
[M-H]- 309.12446 181.8
[M+NH4]+ 328.16556 187.8
[M+K]+ 349.09490 176.3
[M+H-H2O]+ 293.12900 163.1
[M+HCOO]- 355.12994 200.9
[M+CH3COO]- 369.14559 213.9
[M+Na-2H]- 331.10641 177.5
[M]+ 310.13119 177.4
[M]- 310.13229 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

patents stripe