CID 155524079

Chembl4454360

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)NCC3=CC=C(C=C3)OC)Cl
InChI
InChI=1S/C18H15ClN2O3/c1-10-3-8-13-15(21-10)18(23)16(14(19)17(13)22)20-9-11-4-6-12(24-2)7-5-11/h3-8,20H,9H2,1-2H3
InChIKey
SVRURKBHVZMHIV-UHFFFAOYSA-N
Compound name
6-chloro-7-[(4-methoxyphenyl)methylamino]-2-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.07712 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 177.7
[M+Na]+ 365.06634 188.5
[M-H]- 341.06984 184.5
[M+NH4]+ 360.11094 191.9
[M+K]+ 381.04028 182.3
[M+H-H2O]+ 325.07438 169.3
[M+HCOO]- 387.07532 194.9
[M+CH3COO]- 401.09097 215.1
[M+Na-2H]- 363.05179 181.4
[M]+ 342.07657 182.7
[M]- 342.07767 182.7
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.