CID 5279610

Dichloro(diphenyl)[?]

Structural Information

Molecular Formula
C23H14Cl2N6
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4N5C(=NN=C5C3(Cl)Cl)C6=CC=CC=C6
InChI
InChI=1S/C23H14Cl2N6/c24-23(25)21-28-26-19(15-9-3-1-4-10-15)30(21)17-13-7-8-14-18(17)31-20(27-29-22(23)31)16-11-5-2-6-12-16/h1-14H
InChIKey
KKWSLYGVTULKQG-UHFFFAOYSA-N
Compound name
7,7-dichloro-3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.0657 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.07298 202.1
[M+Na]+ 467.05492 218.6
[M-H]- 443.05842 208.8
[M+NH4]+ 462.09952 212.7
[M+K]+ 483.02886 210.6
[M+H-H2O]+ 427.06296 185.9
[M+HCOO]- 489.06390 209.3
[M+CH3COO]- 503.07955 211.1
[M+Na-2H]- 465.04037 205.1
[M]+ 444.06515 205.9
[M]- 444.06625 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.