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 205.4
[M+Na]+ 368.09249 200.8
[M-H]- 344.09599 202.7
[M+NH4]+ 363.13709 202.9
[M+K]+ 384.06643 201.5
[M+H-H2O]+ 328.10053 194.3
[M+HCOO]- 390.10147 203.4
[M+CH3COO]- 404.11712 203.8
[M+Na-2H]- 366.07794 204.3
[M]+ 345.10272 203.0
[M]- 345.10382 203.0
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.