CID 13697972

2-chloro-6-(4-nitrophenyl)-13-phenyl-5h-dibenzo(d,h)(1,3,6)triazonine

Structural Information

Molecular Formula
C26H17ClN4O2
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)C5=CC=C(C=C5)[N+](=O)[O-])Cl
InChI
InChI=1S/C26H17ClN4O2/c27-19-12-15-22-21(16-19)25(17-6-2-1-3-7-17)28-23-8-4-5-9-24(23)30-26(29-22)18-10-13-20(14-11-18)31(32)33/h1-16,28H
InChIKey
VDVCFZQMHFDMHG-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-nitrophenyl)-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.104 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11128 205.0
[M+Na]+ 475.09322 208.0
[M+NH4]+ 470.13782 205.9
[M+K]+ 491.06716 204.9
[M-H]- 451.09672 206.2
[M+Na-2H]- 473.07867 204.6
[M]+ 452.10345 206.0
[M]- 452.10455 206.0
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.