CID 210104

Brn 1345885

Structural Information

Molecular Formula
C17H13N
SMILES
C1CC2=CC=CC3=CN=CC(=C23)C4=CC=CC=C41
InChI
InChI=1S/C17H13N/c1-2-7-15-12(4-1)8-9-13-5-3-6-14-10-18-11-16(15)17(13)14/h1-7,10-11H,8-9H2
InChIKey
WXGWFHOWDMZSKV-UHFFFAOYSA-N
Compound name
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1048 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11208 149.1
[M+Na]+ 254.09402 164.4
[M+NH4]+ 249.13862 159.9
[M+K]+ 270.06796 155.9
[M-H]- 230.09752 153.8
[M+Na-2H]- 252.07947 157.4
[M]+ 231.10425 153.0
[M]- 231.10535 153.0
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

No patent data available for this compound.