CID 57323

Brn 0532888

Structural Information

Molecular Formula
C17H14N2
SMILES
C1CN=C(C2=C3C1=CNC3=CC=C2)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2/c1-2-5-12(6-3-1)17-14-7-4-8-15-16(14)13(11-19-15)9-10-18-17/h1-8,11,19H,9-10H2
InChIKey
PJXLTLYKMRZKEE-UHFFFAOYSA-N
Compound name
9-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12297 154.8
[M+Na]+ 269.10491 169.2
[M+NH4]+ 264.14951 164.0
[M+K]+ 285.07885 163.1
[M-H]- 245.10841 158.9
[M+Na-2H]- 267.09036 163.4
[M]+ 246.11514 158.3
[M]- 246.11624 158.3
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.