CID 488617

8-[(2r)-2-(aminomethyl)morpholin-4-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C19H24FN3O4
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCO[C@@H](C4)CN
InChI
InChI=1S/C19H24FN3O4/c1-10-16-13(11-2-3-11)6-14(19(25)26)18(24)23(16)9-15(20)17(10)22-4-5-27-12(7-21)8-22/h6,9,11-13,16H,2-5,7-8,21H2,1H3,(H,25,26)/t12-,13?,16?/m1/s1
InChIKey
UIIKXGGXKMZICA-VEAWUBTESA-N
Compound name
8-[(2R)-2-(aminomethyl)morpholin-4-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17508 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18236 193.3
[M+Na]+ 400.16430 201.0
[M-H]- 376.16780 198.6
[M+NH4]+ 395.20890 196.6
[M+K]+ 416.13824 195.4
[M+H-H2O]+ 360.17234 183.2
[M+HCOO]- 422.17328 203.0
[M+CH3COO]- 436.18893 223.9
[M+Na-2H]- 398.14975 190.1
[M]+ 377.17453 190.9
[M]- 377.17563 190.9
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

No patent data available for this compound.