CID 459769

1-dibenzofuran-4-ylisoquinoline

Structural Information

Molecular Formula
C21H13NO
SMILES
C1=CC=C2C(=C1)C=CN=C2C3=CC=CC4=C3OC5=CC=CC=C45
InChI
InChI=1S/C21H13NO/c1-2-7-15-14(6-1)12-13-22-20(15)18-10-5-9-17-16-8-3-4-11-19(16)23-21(17)18/h1-13H
InChIKey
BRZLLJSRIPVXFR-UHFFFAOYSA-N
Compound name
1-dibenzofuran-4-ylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

295.0997 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10698 166.5
[M+Na]+ 318.08892 179.0
[M-H]- 294.09242 176.4
[M+NH4]+ 313.13352 183.9
[M+K]+ 334.06286 172.6
[M+H-H2O]+ 278.09696 157.5
[M+HCOO]- 340.09790 189.0
[M+CH3COO]- 354.11355 179.8
[M+Na-2H]- 316.07437 176.3
[M]+ 295.09915 171.0
[M]- 295.10025 171.0
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

patents stripe