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
4
Annotation Hits

123
References

46295
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 192.5
[M+Na]+ 383.15188 203.0
[M-H]- 359.15538 201.4
[M+NH4]+ 378.19648 203.8
[M+K]+ 399.12582 193.6
[M+H-H2O]+ 343.15992 179.7
[M+HCOO]- 405.16086 211.2
[M+CH3COO]- 419.17651 202.5
[M+Na-2H]- 381.13733 199.1
[M]+ 360.16211 193.7
[M]- 360.16321 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.