CID 54679555

N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CC(C)CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=CO3)O
InChI
InChI=1S/C20H22N2O4/c1-13(2)9-10-22-16-8-4-3-7-15(16)18(23)17(20(22)25)19(24)21-12-14-6-5-11-26-14/h3-8,11,13,23H,9-10,12H2,1-2H3,(H,21,24)
InChIKey
QQPCAPOZUFWNNW-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

354.15796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.6
[M+Na]+ 377.14718 192.7
[M-H]- 353.15068 191.1
[M+NH4]+ 372.19178 196.9
[M+K]+ 393.12112 189.2
[M+H-H2O]+ 337.15522 176.3
[M+HCOO]- 399.15616 205.2
[M+CH3COO]- 413.17181 215.3
[M+Na-2H]- 375.13263 186.4
[M]+ 354.15741 189.9
[M]- 354.15851 189.9
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

patents stripe