CID 20380

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

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC=C(C=C1)N=NC(C(=O)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O2/c1-12-8-10-15(11-9-12)18-19-16(13(2)20)17(21)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey
PCDPOPUECJDSLB-UHFFFAOYSA-N
Compound name
2-[(4-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]+ 281.12848 165.2
[M+Na]+ 303.11042 170.4
[M-H]- 279.11392 174.3
[M+NH4]+ 298.15502 181.1
[M+K]+ 319.08436 168.4
[M+H-H2O]+ 263.11846 156.2
[M+HCOO]- 325.11940 191.6
[M+CH3COO]- 339.13505 210.6
[M+Na-2H]- 301.09587 168.9
[M]+ 280.12065 166.8
[M]- 280.12175 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.