CID 4604748

3,5-diphenyl-4'-methyl-2-nitrobiphenyl

Structural Information

Molecular Formula
C25H19NO2
SMILES
CC1=CC=C(C=C1)C2=CC(=CC(=C2[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
InChIKey
OAWYKQYRSAABEU-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-nitro-3,5-diphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.14157 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14885 190.7
[M+Na]+ 388.13079 196.2
[M-H]- 364.13429 203.0
[M+NH4]+ 383.17539 201.0
[M+K]+ 404.10473 185.4
[M+H-H2O]+ 348.13883 183.7
[M+HCOO]- 410.13977 214.1
[M+CH3COO]- 424.15542 213.4
[M+Na-2H]- 386.11624 195.1
[M]+ 365.14102 188.1
[M]- 365.14212 188.1
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

No patent data available for this compound.