CID 3094016

1,3-diphenyl-benzo(f)quinoline

Structural Information

Molecular Formula
C25H17N
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5
InChI
InChI=1S/C25H17N/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17H
InChIKey
VVGPJJDXVQKKFH-UHFFFAOYSA-N
Compound name
1,3-diphenylbenzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

331.1361 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14338 181.0
[M+Na]+ 354.12532 190.3
[M-H]- 330.12882 190.8
[M+NH4]+ 349.16992 194.4
[M+K]+ 370.09926 181.4
[M+H-H2O]+ 314.13336 169.3
[M+HCOO]- 376.13430 201.7
[M+CH3COO]- 390.14995 191.7
[M+Na-2H]- 352.11077 189.8
[M]+ 331.13555 180.7
[M]- 331.13665 180.7
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