CID 170090

38656-58-5

Structural Information

Molecular Formula
C18H20N3O3
SMILES
CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)[N+]#N
InChI
InChI=1S/C18H19N3O3/c1-4-23-16-11-15(21-19)17(24-5-2)10-14(16)20-18(22)13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/p+1
InChIKey
FYNXTVAKTNQLFP-UHFFFAOYSA-O
Compound name
2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.15045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15773 182.6
[M+Na]+ 349.13967 191.2
[M-H]- 325.14317 189.3
[M+NH4]+ 344.18427 194.9
[M+K]+ 365.11361 182.6
[M+H-H2O]+ 309.14771 169.8
[M+HCOO]- 371.14865 204.1
[M+CH3COO]- 385.16430 220.0
[M+Na-2H]- 347.12512 186.6
[M]+ 326.14990 180.5
[M]- 326.15100 180.5
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