CID 3669703

2-phenylbenzo[h]quinoline

Structural Information

Molecular Formula
C19H13N
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=CC=CC=C43)C=C2
InChI
InChI=1S/C19H13N/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18/h1-13H
InChIKey
UICULVDHXKFDIT-UHFFFAOYSA-N
Compound name
2-phenylbenzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

255.1048 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.112076 157.3
[M+Na]+ 278.094018 167.3
[M-H]- 254.097524 164.6
[M+NH4]+ 273.138623 174.5
[M+K]+ 294.067958 160.2
[M+H-H2O]+ 238.102060 147.8
[M+HCOO]- 300.103001 179.3
[M+CH3COO]- 314.118651 169.9
[M+Na-2H]- 276.079466 168.2
[M]+ 255.10425142 157.8
[M]- 255.10534858 157.8
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