CID 65149

Bathocuproine

Structural Information

Molecular Formula
C26H20N2
SMILES
CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N
Compound name
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

122
References

57386
Patents

360.16266 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16994 191.1
[M+Na]+ 383.15188 213.7
[M+NH4]+ 378.19648 201.7
[M+K]+ 399.12582 200.5
[M-H]- 359.15538 200.8
[M+Na-2H]- 381.13733 204.8
[M]+ 360.16211 197.8
[M]- 360.16321 197.8
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