CID 54683118

300716-15-8

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC(=C3)C)O
InChI
InChI=1S/C21H22N2O3/c1-3-4-12-23-17-11-6-5-10-16(17)19(24)18(21(23)26)20(25)22-15-9-7-8-14(2)13-15/h5-11,13,24H,3-4,12H2,1-2H3,(H,22,25)
InChIKey
GFAJSMNNGWQOAA-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.170336 184.4
[M+Na]+ 373.152278 192.5
[M-H]- 349.155784 189.7
[M+NH4]+ 368.196883 196.4
[M+K]+ 389.126218 186.7
[M+H-H2O]+ 333.160320 175.1
[M+HCOO]- 395.161261 204.1
[M+CH3COO]- 409.176911 216.9
[M+Na-2H]- 371.137726 187.2
[M]+ 350.16251142 186.6
[M]- 350.16360858 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.