CID 13697966

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

Structural Information

Molecular Formula
C22H19ClN4
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CCN)Cl
InChI
InChI=1S/C22H19ClN4/c23-16-10-11-18-17(14-16)22(15-6-2-1-3-7-15)27-20-9-5-4-8-19(20)26-21(25-18)12-13-24/h1-11,14,27H,12-13,24H2
InChIKey
HKIJSOSGSSWPQZ-UHFFFAOYSA-N
Compound name
2-(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13710 197.8
[M+Na]+ 397.11904 200.5
[M+NH4]+ 392.16364 198.9
[M+K]+ 413.09298 197.4
[M-H]- 373.12254 198.6
[M+Na-2H]- 395.10449 197.6
[M]+ 374.12927 198.6
[M]- 374.13037 198.6
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.