CID 13185379

Cu(dap)2 chloride

Structural Information

Molecular Formula

C₂₆H₂₀N₂O₂

SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)OC)C=C2

InChI

InChI=1S/C26H20N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16H,1-2H3

InChIKey

UCCSXBZGZACZAB-UHFFFAOYSA-N

Compound name

2,9-bis(4-methoxyphenyl)-1,10-phenanthroline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 392.15247 Da
Monoisotopic Mass: 5.7
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]+	393.159746	199.2
[M+Na]+	415.141688	209.2
[M-H]-	391.145194	208.1
[M+NH4]+	410.186293	208.9
[M+K]+	431.115628	201.4
[M+H-H2O]+	375.149730	185.8
[M+HCOO]-	437.150671	218.1
[M+CH3COO]-	451.166321	208.8
[M+Na-2H]-	413.127136	205.9
[M]+	392.15192142	203.0
[M]-	392.15301858	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe