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 151.0
[M+Na]+ 254.09402 159.5
[M-H]- 230.09752 156.7
[M+NH4]+ 249.13862 170.1
[M+K]+ 270.06796 156.8
[M+H-H2O]+ 214.10206 145.4
[M+HCOO]- 276.10300 169.4
[M+CH3COO]- 290.11865 163.1
[M+Na-2H]- 252.07947 161.5
[M]+ 231.10425 148.7
[M]- 231.10535 148.7
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.