CID 117553

25583-37-3

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C21H26N2O3/c1-3-5-6-7-8-21(24)26-20-15-11-18(12-16-20)23-22-17-9-13-19(14-10-17)25-4-2/h9-16H,3-8H2,1-2H3
InChIKey
KULYLNKSNZKYIU-UHFFFAOYSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

354.19434 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 188.0
[M+Na]+ 377.18356 200.1
[M+NH4]+ 372.22816 194.7
[M+K]+ 393.15750 191.4
[M-H]- 353.18706 193.2
[M+Na-2H]- 375.16901 196.0
[M]+ 354.19379 191.1
[M]- 354.19489 191.1
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