CID 488574

Schembl7502437

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)O)NC
InChI
InChI=1S/C19H22FN3O4/c1-9-16-11(10-3-4-10)5-12(19(26)27)18(25)23(16)6-13(20)17(9)22-7-14(21-2)15(24)8-22/h5-6,10,14-15,21,24H,3-4,7-8H2,1-2H3,(H,26,27)
InChIKey
AAOMVIDXLKVSAX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

375.15942 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 186.0
[M+Na]+ 398.14864 196.4
[M-H]- 374.15214 191.5
[M+NH4]+ 393.19324 192.6
[M+K]+ 414.12258 188.5
[M+H-H2O]+ 358.15668 178.0
[M+HCOO]- 420.15762 200.7
[M+CH3COO]- 434.17327 221.8
[M+Na-2H]- 396.13409 182.9
[M]+ 375.15887 187.5
[M]- 375.15997 187.5
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

patents stripe