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

11
Patents

392.15247 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15975 199.2
[M+Na]+ 415.14169 209.2
[M-H]- 391.14519 208.1
[M+NH4]+ 410.18629 208.9
[M+K]+ 431.11563 201.4
[M+H-H2O]+ 375.14973 185.8
[M+HCOO]- 437.15067 218.1
[M+CH3COO]- 451.16632 208.8
[M+Na-2H]- 413.12714 205.9
[M]+ 392.15192 203.0
[M]- 392.15302 203.0
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