CID 13697964

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

Structural Information

Molecular Formula
C22H18ClN3
SMILES
CCC1=NC2=CC=CC=C2NC(=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H18ClN3/c1-2-21-24-18-13-12-16(23)14-17(18)22(15-8-4-3-5-9-15)26-20-11-7-6-10-19(20)25-21/h3-14,26H,2H2,1H3
InChIKey
LEYXEZGSQBOWMN-UHFFFAOYSA-N
Compound name
2-chloro-6-ethyl-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11893 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12621 205.8
[M+Na]+ 382.10815 201.1
[M-H]- 358.11165 203.1
[M+NH4]+ 377.15275 203.2
[M+K]+ 398.08209 201.8
[M+H-H2O]+ 342.11619 194.6
[M+HCOO]- 404.11713 203.7
[M+CH3COO]- 418.13278 204.1
[M+Na-2H]- 380.09360 204.6
[M]+ 359.11838 203.3
[M]- 359.11948 203.3
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.