CID 408239

Chembl86857

Structural Information

Molecular Formula

SMILES

CC1=CC(=C2C=C(C=CC2=N1)NC(=O)CCCCCCCCC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N

InChI

InChI=1S/C30H36N6O2/c1-19-15-25(31)23-17-21(11-13-27(23)33-19)35-29(37)9-7-5-3-4-6-8-10-30(38)36-22-12-14-28-24(18-22)26(32)16-20(2)34-28/h11-18H,3-10H2,1-2H3,(H2,31,33)(H2,32,34)(H,35,37)(H,36,38)

InChIKey

WEZNVJMYBLKULU-UHFFFAOYSA-N

Compound name

N,N'-bis(4-amino-2-methylquinolin-6-yl)decanediamide

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 2
Patents: 512.29 Da
Monoisotopic Mass: 4.7
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]+	513.29728	229.9
[M+Na]+	535.27922	234.2
[M-H]-	511.28272	234.2
[M+NH4]+	530.32382	233.8
[M+K]+	551.25316	227.0
[M+H-H2O]+	495.28726	217.5
[M+HCOO]-	557.28820	247.9
[M+CH3COO]-	571.30385	259.8
[M+Na-2H]-	533.26467	231.3
[M]+	512.28945	231.9
[M]-	512.29055	231.9

Literature stripe

Patent stripe