CID 13697971

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

Structural Information

Molecular Formula
C27H20ClN3O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5
InChI
InChI=1S/C27H20ClN3O/c1-32-21-14-11-19(12-15-21)27-30-23-16-13-20(28)17-22(23)26(18-7-3-2-4-8-18)29-24-9-5-6-10-25(24)31-27/h2-17,29H,1H3
InChIKey
MWTKCYPHDVYZDA-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-methoxyphenyl)-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1295 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13678 201.7
[M+Na]+ 460.11872 204.8
[M+NH4]+ 455.16332 202.8
[M+K]+ 476.09266 201.4
[M-H]- 436.12222 202.8
[M+Na-2H]- 458.10417 201.7
[M]+ 437.12895 202.7
[M]- 437.13005 202.7
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.