CID 13697963

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

Structural Information

Molecular Formula
C21H16ClN3
SMILES
CC1=NC2=CC=CC=C2NC(=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H16ClN3/c1-14-23-18-12-11-16(22)13-17(18)21(15-7-3-2-4-8-15)25-20-10-6-5-9-19(20)24-14/h2-13,25H,1H3
InChIKey
XRZFAFKTQXMKCB-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.10327 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11055 194.1
[M+Na]+ 368.09249 197.1
[M+NH4]+ 363.13709 195.3
[M+K]+ 384.06643 194.0
[M-H]- 344.09599 194.9
[M+Na-2H]- 366.07794 194.2
[M]+ 345.10272 195.0
[M]- 345.10382 195.0
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.