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 209.0
[M+Na]+ 397.11904 204.3
[M-H]- 373.12254 206.2
[M+NH4]+ 392.16364 206.4
[M+K]+ 413.09298 204.9
[M+H-H2O]+ 357.12708 197.8
[M+HCOO]- 419.12802 206.8
[M+CH3COO]- 433.14367 207.1
[M+Na-2H]- 395.10449 207.5
[M]+ 374.12927 206.4
[M]- 374.13037 206.4
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.