CID 4097099

4'-(4-(diethylamino)phenylazo)acetophenone

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C18H21N3O/c1-4-21(5-2)18-12-10-17(11-13-18)20-19-16-8-6-15(7-9-16)14(3)22/h6-13H,4-5H2,1-3H3
InChIKey
LUAIMNWRBPKYDJ-UHFFFAOYSA-N
Compound name
1-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.16846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 171.6
[M+Na]+ 318.15768 176.9
[M-H]- 294.16118 182.0
[M+NH4]+ 313.20228 187.7
[M+K]+ 334.13162 175.1
[M+H-H2O]+ 278.16572 161.8
[M+HCOO]- 340.16666 200.6
[M+CH3COO]- 354.18231 220.2
[M+Na-2H]- 316.14313 176.0
[M]+ 295.16791 174.9
[M]- 295.16901 174.9
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