CID 3810484

3-amino-6-chloro-4-phenylquinolin-2-ol

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)N
InChI
InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(17)15(19)18-12)9-4-2-1-3-5-9/h1-8H,17H2,(H,18,19)
InChIKey
DTVBJIVUGSOZDZ-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

270.056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.5
[M+Na]+ 293.04522 169.7
[M-H]- 269.04872 163.7
[M+NH4]+ 288.08982 174.6
[M+K]+ 309.01916 161.7
[M+H-H2O]+ 253.05326 151.3
[M+HCOO]- 315.05420 175.7
[M+CH3COO]- 329.06985 170.6
[M+Na-2H]- 291.03067 164.8
[M]+ 270.05545 158.4
[M]- 270.05655 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe