CID 23220359

183235-15-6

Structural Information

Molecular Formula
C16H19F2N3O
SMILES
CCN1C=CC(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F
InChI
InChI=1S/C16H19F2N3O/c1-3-20-6-4-13(22)11-8-12(17)16(14(18)15(11)20)21-7-5-19-10(2)9-21/h4,6,8,10,19H,3,5,7,9H2,1-2H3
InChIKey
JBKJMRNKAYHBPV-UHFFFAOYSA-N
Compound name
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.14963 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.156906 174.4
[M+Na]+ 330.138848 184.0
[M-H]- 306.142354 174.0
[M+NH4]+ 325.183453 186.0
[M+K]+ 346.112788 176.7
[M+H-H2O]+ 290.146890 162.9
[M+HCOO]- 352.147831 185.9
[M+CH3COO]- 366.163481 183.3
[M+Na-2H]- 328.124296 175.0
[M]+ 307.14908142 169.2
[M]- 307.15017858 169.2
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

patents stripe