CID 488624

8-(3-carboxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C19H21FN2O5
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)C(=O)O
InChI
InChI=1S/C19H21FN2O5/c1-9-15-12(10-2-3-10)6-13(19(26)27)17(23)22(15)8-14(20)16(9)21-5-4-11(7-21)18(24)25/h6,8,10-12,15H,2-5,7H2,1H3,(H,24,25)(H,26,27)
InChIKey
XRLKIRAUMGUNAV-UHFFFAOYSA-N
Compound name
8-(3-carboxypyrrolidin-1-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

376.14346 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15074 186.3
[M+Na]+ 399.13268 194.6
[M-H]- 375.13618 190.8
[M+NH4]+ 394.17728 192.4
[M+K]+ 415.10662 187.8
[M+H-H2O]+ 359.14072 178.6
[M+HCOO]- 421.14166 196.6
[M+CH3COO]- 435.15731 218.6
[M+Na-2H]- 397.11813 180.6
[M]+ 376.14291 185.4
[M]- 376.14401 185.4
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.