CID 488576

4h-quinolizine-3-carboxylic acid, 8-[3-(aminomethyl)-4-morpholinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCOCC4CN
InChI
InChI=1S/C19H22FN3O4/c1-10-16-13(11-2-3-11)6-14(19(25)26)18(24)23(16)8-15(20)17(10)22-4-5-27-9-12(22)7-21/h6,8,11-12H,2-5,7,9,21H2,1H3,(H,25,26)
InChIKey
FNRWHJGNLHDSLT-UHFFFAOYSA-N
Compound name
8-[3-(aminomethyl)morpholin-4-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 191.6
[M+Na]+ 398.14864 201.2
[M-H]- 374.15214 197.7
[M+NH4]+ 393.19324 195.2
[M+K]+ 414.12258 195.2
[M+H-H2O]+ 358.15668 181.4
[M+HCOO]- 420.15762 204.2
[M+CH3COO]- 434.17327 223.1
[M+Na-2H]- 396.13409 190.2
[M]+ 375.15887 191.9
[M]- 375.15997 191.9
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.