CID 3065256

2,2'-(((2-chloro-13-phenyl-5h-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)imino)bisethanol

Structural Information

Molecular Formula
C25H25ClN4O2
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CN(CCO)CCO)Cl
InChI
InChI=1S/C25H25ClN4O2/c26-19-10-11-21-20(16-19)25(18-6-2-1-3-7-18)29-23-9-5-4-8-22(23)28-24(27-21)17-30(12-14-31)13-15-32/h1-11,16,29,31-32H,12-15,17H2
InChIKey
GWTFPUYZUCKYEM-UHFFFAOYSA-N
Compound name
2-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1666 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17388 216.0
[M+Na]+ 471.15582 210.7
[M-H]- 447.15932 212.9
[M+NH4]+ 466.20042 213.1
[M+K]+ 487.12976 211.3
[M+H-H2O]+ 431.16386 204.4
[M+HCOO]- 493.16480 213.3
[M+CH3COO]- 507.18045 213.5
[M+Na-2H]- 469.14127 213.5
[M]+ 448.16605 213.0
[M]- 448.16715 213.0
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.