CID 73820

3-(8-quinolylazo)-2,4-pentanedione

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC(=O)C(C(=O)C)N=NC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C14H13N3O2/c1-9(18)13(10(2)19)17-16-12-7-3-5-11-6-4-8-15-14(11)12/h3-8,13H,1-2H3
InChIKey
IXWTUGLUEGKANR-UHFFFAOYSA-N
Compound name
3-(quinolin-8-yldiazenyl)pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.1
[M+Na]+ 278.08999 162.7
[M-H]- 254.09349 161.8
[M+NH4]+ 273.13459 173.0
[M+K]+ 294.06393 161.2
[M+H-H2O]+ 238.09803 147.5
[M+HCOO]- 300.09897 180.6
[M+CH3COO]- 314.11462 206.1
[M+Na-2H]- 276.07544 162.5
[M]+ 255.10022 158.5
[M]- 255.10132 158.5
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