CID 135568359

1,2,3-benzenetriol, 5-(2-chloro-13-phenyl-5h-dibenzo(d,h)(1,3,6)triazonin-6-yl)-

Structural Information

Molecular Formula
C26H18ClN3O3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)C5=CC(=C(C(=C5)O)O)O)Cl
InChI
InChI=1S/C26H18ClN3O3/c27-17-10-11-19-18(14-17)24(15-6-2-1-3-7-15)28-20-8-4-5-9-21(20)30-26(29-19)16-12-22(31)25(33)23(32)13-16/h1-14,28,31-33H
InChIKey
GUSCFQFAEJCXAW-UHFFFAOYSA-N
Compound name
5-(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.10367 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11095 221.5
[M+Na]+ 478.09289 214.4
[M-H]- 454.09639 217.7
[M+NH4]+ 473.13749 217.8
[M+K]+ 494.06683 215.6
[M+H-H2O]+ 438.10093 209.2
[M+HCOO]- 500.10187 217.9
[M+CH3COO]- 514.11752 218.0
[M+Na-2H]- 476.07834 217.8
[M]+ 455.10312 217.7
[M]- 455.10422 217.7
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.