CID 213261

Brn 0454452

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(NC3=CC(=C4C=CC=NC4=C3O)Cl)O
InChI
InChI=1S/C23H17ClN2O3/c24-18-13-19(22(28)20-17(18)7-4-12-25-20)26-23(29)21(27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13,23,26,28-29H
InChIKey
VYOAZYSLWRAWSH-UHFFFAOYSA-N
Compound name
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-2-hydroxy-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.09277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 192.4
[M+Na]+ 427.08199 199.4
[M-H]- 403.08549 199.0
[M+NH4]+ 422.12659 201.3
[M+K]+ 443.05593 192.0
[M+H-H2O]+ 387.09003 182.8
[M+HCOO]- 449.09097 205.4
[M+CH3COO]- 463.10662 200.9
[M+Na-2H]- 425.06744 195.7
[M]+ 404.09222 193.3
[M]- 404.09332 193.3
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.