CID 486107

Chembl317454

Structural Information

Molecular Formula
C17H20FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N(C)CCN
InChI
InChI=1S/C17H20FN3O3/c1-9-14-11(10-3-4-10)7-12(17(23)24)16(22)21(14)8-13(18)15(9)20(2)6-5-19/h7-8,10H,3-6,19H2,1-2H3,(H,23,24)
InChIKey
PFOJPSBVUTXSNR-UHFFFAOYSA-N
Compound name
8-[2-aminoethyl(methyl)amino]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.14886 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15614 175.1
[M+Na]+ 356.13808 185.5
[M-H]- 332.14158 181.0
[M+NH4]+ 351.18268 183.9
[M+K]+ 372.11202 179.7
[M+H-H2O]+ 316.14612 166.6
[M+HCOO]- 378.14706 195.0
[M+CH3COO]- 392.16271 221.7
[M+Na-2H]- 354.12353 175.5
[M]+ 333.14831 178.9
[M]- 333.14941 178.9
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.