CID 104230

4-(4'-methoxy)benzoylamino-2,5-diethoxybenzenediazonium chloride zinc chloride

Structural Information

Molecular Formula
C18H20N3O4
SMILES
CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OC)OCC)[N+]#N
InChI
InChI=1S/C18H19N3O4/c1-4-24-16-11-15(21-19)17(25-5-2)10-14(16)20-18(22)12-6-8-13(23-3)9-7-12/h6-11H,4-5H2,1-3H3/p+1
InChIKey
NZJOWPHCJQWDJZ-UHFFFAOYSA-O
Compound name
2,5-diethoxy-4-[(4-methoxybenzoyl)amino]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

342.1454 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15268 184.7
[M+Na]+ 365.13462 193.0
[M-H]- 341.13812 191.3
[M+NH4]+ 360.17922 196.2
[M+K]+ 381.10856 185.1
[M+H-H2O]+ 325.14266 171.5
[M+HCOO]- 387.14360 206.3
[M+CH3COO]- 401.15925 221.9
[M+Na-2H]- 363.12007 188.8
[M]+ 342.14485 183.7
[M]- 342.14595 183.7
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