CID 5080116

1-butylquinoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCCCN1C(=O)CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3
InChIKey
VBGFLYWUTPWXPK-UHFFFAOYSA-N
Compound name
1-butylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.2
[M+Na]+ 240.09950 155.6
[M-H]- 216.10300 150.2
[M+NH4]+ 235.14410 165.8
[M+K]+ 256.07344 152.1
[M+H-H2O]+ 200.10754 140.3
[M+HCOO]- 262.10848 166.9
[M+CH3COO]- 276.12413 190.0
[M+Na-2H]- 238.08495 152.5
[M]+ 217.10973 147.6
[M]- 217.11083 147.6
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.