CID 155538722

Chembl4525040

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Cl)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O2/c1-11-7-8-13-15(21-11)18(23)14(19)16(17(13)22)20-10-9-12-5-3-2-4-6-12/h2-8,20H,9-10H2,1H3
InChIKey
IVQMIQNZRKOOPE-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-6-(2-phenylethylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.0822 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 174.7
[M+Na]+ 349.07142 184.8
[M-H]- 325.07492 181.1
[M+NH4]+ 344.11602 189.4
[M+K]+ 365.04536 177.8
[M+H-H2O]+ 309.07946 166.3
[M+HCOO]- 371.08040 191.8
[M+CH3COO]- 385.09605 211.7
[M+Na-2H]- 347.05687 179.0
[M]+ 326.08165 177.9
[M]- 326.08275 177.9
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

No patent data available for this compound.