CID 5147867

258-91-3

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC=C2C=C3C=NC4=CC=CC=C4N=CC3=CC2=C1
InChI
InChI=1S/C18H12N2/c1-2-6-14-10-16-12-20-18-8-4-3-7-17(18)19-11-15(16)9-13(14)5-1/h1-12H
InChIKey
ASSQRFQUATULIR-UHFFFAOYSA-N
Compound name
3,10-diazatetracyclo[10.8.0.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10004 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.107316 160.3
[M+Na]+ 279.089258 166.3
[M-H]- 255.092764 162.0
[M+NH4]+ 274.133863 167.8
[M+K]+ 295.063198 164.0
[M+H-H2O]+ 239.097300 154.8
[M+HCOO]- 301.098241 168.5
[M+CH3COO]- 315.113891 164.7
[M+Na-2H]- 277.074706 163.0
[M]+ 256.09949142 160.3
[M]- 256.10058858 160.3
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.