CID 54676665

303093-23-4

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)C)C)O
InChI
InChI=1S/C22H24N2O3/c1-4-5-12-24-18-9-7-6-8-16(18)20(25)19(22(24)27)21(26)23-17-11-10-14(2)13-15(17)3/h6-11,13,25H,4-5,12H2,1-3H3,(H,23,26)
InChIKey
YXBKMQHNCHCUOP-UHFFFAOYSA-N
Compound name
1-butyl-N-(2,4-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.185956 189.2
[M+Na]+ 387.167898 197.7
[M-H]- 363.171404 194.7
[M+NH4]+ 382.212503 200.9
[M+K]+ 403.141838 191.8
[M+H-H2O]+ 347.175940 179.9
[M+HCOO]- 409.176881 208.5
[M+CH3COO]- 423.192531 221.2
[M+Na-2H]- 385.153346 190.7
[M]+ 364.17813142 192.2
[M]- 364.17922858 192.2
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.