CID 54683986

184536-27-4

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCCCCCC(=O)NC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C16H20N2O3/c1-2-3-4-5-10-13(19)18-14-15(20)11-8-6-7-9-12(11)17-16(14)21/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKey
TWSNQWIBRZVNRU-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.9
[M+Na]+ 311.13662 173.8
[M-H]- 287.14012 167.3
[M+NH4]+ 306.18122 180.9
[M+K]+ 327.11056 168.6
[M+H-H2O]+ 271.14466 159.4
[M+HCOO]- 333.14560 185.6
[M+CH3COO]- 347.16125 201.0
[M+Na-2H]- 309.12207 170.9
[M]+ 288.14685 167.5
[M]- 288.14795 167.5
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.