CID 3065252

Brn 5124384

Structural Information

Molecular Formula
C21H15Cl2N3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CCl)Cl
InChI
InChI=1S/C21H15Cl2N3/c22-13-20-24-17-11-10-15(23)12-16(17)21(14-6-2-1-3-7-14)26-19-9-5-4-8-18(19)25-20/h1-12,26H,13H2
InChIKey
QGECICVKOZNMLQ-UHFFFAOYSA-N
Compound name
2-chloro-6-(chloromethyl)-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0643 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07158 194.6
[M+Na]+ 402.05352 197.6
[M+NH4]+ 397.09812 195.8
[M+K]+ 418.02746 194.5
[M-H]- 378.05702 195.4
[M+Na-2H]- 400.03897 194.7
[M]+ 379.06375 195.5
[M]- 379.06485 195.5
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.