CID 88672

20730-67-0

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C19H22N2O3/c1-3-5-6-19(22)24-18-13-9-16(10-14-18)21-20-15-7-11-17(12-8-15)23-4-2/h7-14H,3-6H2,1-2H3
InChIKey
LYMAPPPYTSLWDN-UHFFFAOYSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

326.16306 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.2
[M+Na]+ 349.15228 183.7
[M-H]- 325.15578 187.1
[M+NH4]+ 344.19688 192.8
[M+K]+ 365.12622 181.4
[M+H-H2O]+ 309.16032 168.4
[M+HCOO]- 371.16126 205.9
[M+CH3COO]- 385.17691 218.3
[M+Na-2H]- 347.13773 182.6
[M]+ 326.16251 184.1
[M]- 326.16361 184.1
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