CID 461584

5-phenylneocuproine

Structural Information

Molecular Formula
C20H16N2
SMILES
CC1=NC2=C3C(=C(C=C2C=C1)C4=CC=CC=C4)C=CC(=N3)C
InChI
InChI=1S/C20H16N2/c1-13-8-10-16-12-18(15-6-4-3-5-7-15)17-11-9-14(2)22-20(17)19(16)21-13/h3-12H,1-2H3
InChIKey
SPEJLMGCSYHEDX-UHFFFAOYSA-N
Compound name
2,9-dimethyl-5-phenyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.13135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 168.5
[M+Na]+ 307.12057 180.0
[M-H]- 283.12407 174.9
[M+NH4]+ 302.16517 183.8
[M+K]+ 323.09451 172.3
[M+H-H2O]+ 267.12861 158.1
[M+HCOO]- 329.12955 188.7
[M+CH3COO]- 343.14520 180.5
[M+Na-2H]- 305.10602 177.3
[M]+ 284.13080 170.6
[M]- 284.13190 170.6
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.