CID 3520768

2,5-diethoxy-4-(2-phenylacetamido)azobenzene, zinc chloride salt

Structural Information

Molecular Formula
C18H20N3O3
SMILES
CCOC1=CC(=C(C=C1NC(=O)CC2=CC=CC=C2)OCC)[N+]#N
InChI
InChI=1S/C18H19N3O3/c1-3-23-16-12-15(21-19)17(24-4-2)11-14(16)20-18(22)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3/p+1
InChIKey
WGPVEGNREDZUQQ-UHFFFAOYSA-O
Compound name
2,5-diethoxy-4-[(2-phenylacetyl)amino]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.15045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15773 182.7
[M+Na]+ 349.13967 190.5
[M-H]- 325.14317 189.0
[M+NH4]+ 344.18427 194.6
[M+K]+ 365.11361 181.7
[M+H-H2O]+ 309.14771 169.5
[M+HCOO]- 371.14865 204.1
[M+CH3COO]- 385.16430 218.9
[M+Na-2H]- 347.12512 187.2
[M]+ 326.14990 180.2
[M]- 326.15100 180.2
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