CID 486102

1-cyclopropyl-8-(dimethylamino)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C16H17FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N(C)C
InChI
InChI=1S/C16H17FN2O3/c1-8-13-10(9-4-5-9)6-11(16(21)22)15(20)19(13)7-12(17)14(8)18(2)3/h6-7,9H,4-5H2,1-3H3,(H,21,22)
InChIKey
AGNDNXHGEHVAPP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(dimethylamino)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1223 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12958 167.5
[M+Na]+ 327.11152 179.3
[M-H]- 303.11502 174.2
[M+NH4]+ 322.15612 178.0
[M+K]+ 343.08546 174.0
[M+H-H2O]+ 287.11956 159.3
[M+HCOO]- 349.12050 187.3
[M+CH3COO]- 363.13615 214.3
[M+Na-2H]- 325.09697 168.8
[M]+ 304.12175 172.5
[M]- 304.12285 172.5
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.