CID 479592

Schembl8569368

Structural Information

Molecular Formula
C19H19FN2O5
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)C(=O)O
InChI
InChI=1S/C19H19FN2O5/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/h6,8,10-11H,2-5,7H2,1H3,(H,24,25)(H,26,27)
InChIKey
YMAGATWQBJOMKF-UHFFFAOYSA-N
Compound name
8-(3-carboxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

374.1278 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13508 184.3
[M+Na]+ 397.11702 194.5
[M-H]- 373.12052 189.7
[M+NH4]+ 392.16162 190.8
[M+K]+ 413.09096 187.3
[M+H-H2O]+ 357.12506 176.5
[M+HCOO]- 419.12600 197.5
[M+CH3COO]- 433.14165 217.8
[M+Na-2H]- 395.10247 180.3
[M]+ 374.12725 186.1
[M]- 374.12835 186.1
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

patents stripe