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]+ 365.18596 189.2
[M+Na]+ 387.16790 197.7
[M-H]- 363.17140 194.7
[M+NH4]+ 382.21250 200.9
[M+K]+ 403.14184 191.8
[M+H-H2O]+ 347.17594 179.9
[M+HCOO]- 409.17688 208.5
[M+CH3COO]- 423.19253 221.2
[M+Na-2H]- 385.15335 190.7
[M]+ 364.17813 192.2
[M]- 364.17923 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.