CID 363530

Nsc628462

Structural Information

Molecular Formula

C₂₃H₃₃NO₃

SMILES

CCCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2)C)OC

InChI

InChI=1S/C23H33NO3/c1-4-5-6-7-8-9-10-11-12-13-14-19-21(25)20-18(16-15-17(2)24-20)22(26)23(19)27-3/h15-16H,4-14H2,1-3H3

InChIKey

VCOLYANUYFCENQ-UHFFFAOYSA-N

Compound name

7-dodecyl-6-methoxy-2-methylquinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.24603 Da
Monoisotopic Mass: 7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	372.253306	194.4
[M+Na]+	394.235248	200.9
[M-H]-	370.238754	196.4
[M+NH4]+	389.279853	207.1
[M+K]+	410.209188	195.6
[M+H-H2O]+	354.243290	185.6
[M+HCOO]-	416.244231	212.1
[M+CH3COO]-	430.259881	224.0
[M+Na-2H]-	392.220696	193.8
[M]+	371.24548142	201.8
[M]-	371.24657858	201.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.