CID 13697962

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

Structural Information

Molecular Formula
C20H14ClN3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=NC4=CC=CC=C4N2)Cl
InChI
InChI=1S/C20H14ClN3/c21-15-10-11-17-16(12-15)20(14-6-2-1-3-7-14)24-19-9-5-4-8-18(19)23-13-22-17/h1-13,24H
InChIKey
JLHZFUUCYPUFCH-UHFFFAOYSA-N
Compound name
2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08762 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09490 192.5
[M+Na]+ 354.07684 195.5
[M+NH4]+ 349.12144 193.8
[M+K]+ 370.05078 192.5
[M-H]- 330.08034 193.4
[M+Na-2H]- 352.06229 192.8
[M]+ 331.08707 193.4
[M]- 331.08817 193.4
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.