CID 13697968

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

Structural Information

Molecular Formula
C26H18ClN3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)C5=CC=CC=C5)Cl
InChI
InChI=1S/C26H18ClN3/c27-20-15-16-22-21(17-20)25(18-9-3-1-4-10-18)28-23-13-7-8-14-24(23)30-26(29-22)19-11-5-2-6-12-19/h1-17,28H
InChIKey
CKCNITSQKHLPLZ-UHFFFAOYSA-N
Compound name
2-chloro-6,13-diphenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.11893 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12621 211.4
[M+Na]+ 430.10815 205.0
[M-H]- 406.11165 207.9
[M+NH4]+ 425.15275 208.1
[M+K]+ 446.08209 206.4
[M+H-H2O]+ 390.11619 199.6
[M+HCOO]- 452.11713 208.5
[M+CH3COO]- 466.13278 208.8
[M+Na-2H]- 428.09360 209.0
[M]+ 407.11838 208.1
[M]- 407.11948 208.1
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.