CID 5147867

Benzo[b]naphtho[2,3-f][1,4]diazocine

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC2=CC3=CN=C4C=CC=CC4=NC=C3C=C2C=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-1,3,5,7,9,11,13,15,17,19-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10004 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10732 158.9
[M+Na]+ 279.08926 165.8
[M-H]- 255.09276 161.0
[M+NH4]+ 274.13386 166.6
[M+K]+ 295.06320 163.4
[M+H-H2O]+ 239.09730 153.6
[M+HCOO]- 301.09824 168.4
[M+CH3COO]- 315.11389 163.8
[M+Na-2H]- 277.07471 162.6
[M]+ 256.09949 160.1
[M]- 256.10059 160.1
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.