CID 85457

Hexanoic acid, 4-((4-ethoxyphenyl)azo)phenyl ester

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C20H24N2O3/c1-3-5-6-7-20(23)25-19-14-10-17(11-15-19)22-21-16-8-12-18(13-9-16)24-4-2/h8-15H,3-7H2,1-2H3
InChIKey
RMMPLQWQSVPJON-UHFFFAOYSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

340.17868 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.8
[M+Na]+ 363.16790 187.8
[M-H]- 339.17140 191.4
[M+NH4]+ 358.21250 196.7
[M+K]+ 379.14184 185.3
[M+H-H2O]+ 323.17594 172.7
[M+HCOO]- 385.17688 210.1
[M+CH3COO]- 399.19253 221.3
[M+Na-2H]- 361.15335 186.6
[M]+ 340.17813 189.0
[M]- 340.17923 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe