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]+ 296.175736 171.6
[M+Na]+ 318.157678 176.9
[M-H]- 294.161184 182.0
[M+NH4]+ 313.202283 187.7
[M+K]+ 334.131618 175.1
[M+H-H2O]+ 278.165720 161.8
[M+HCOO]- 340.166661 200.6
[M+CH3COO]- 354.182311 220.2
[M+Na-2H]- 316.143126 176.0
[M]+ 295.16791142 174.9
[M]- 295.16900858 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