CID 19446

1-phenyl-2-(m-tolylazo)-1,3-butanedione

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC(=CC=C1)N=NC(C(=O)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O2/c1-12-7-6-10-15(11-12)18-19-16(13(2)20)17(21)14-8-4-3-5-9-14/h3-11,16H,1-2H3
InChIKey
ASBFLDZZYNJTBC-UHFFFAOYSA-N
Compound name
2-[(3-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 165.2
[M+Na]+ 303.110418 170.4
[M-H]- 279.113924 174.3
[M+NH4]+ 298.155023 181.1
[M+K]+ 319.084358 168.4
[M+H-H2O]+ 263.118460 156.2
[M+HCOO]- 325.119401 191.6
[M+CH3COO]- 339.135051 210.6
[M+Na-2H]- 301.095866 168.9
[M]+ 280.12065142 166.8
[M]- 280.12174858 166.8
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

No patent data available for this compound.