CID 488564

Schembl7503117

Structural Information

Molecular Formula
C21H25FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(CC4)CCO
InChI
InChI=1S/C21H25FN2O4/c1-12-18-15(14-2-3-14)10-16(21(27)28)20(26)24(18)11-17(22)19(12)23-7-4-13(5-8-23)6-9-25/h10-11,13-14,25H,2-9H2,1H3,(H,27,28)
InChIKey
SXQOSQCSYJRINM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[4-(2-hydroxyethyl)piperidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

388.17984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18712 194.2
[M+Na]+ 411.16906 202.9
[M-H]- 387.17256 198.3
[M+NH4]+ 406.21366 198.3
[M+K]+ 427.14300 195.3
[M+H-H2O]+ 371.17710 184.2
[M+HCOO]- 433.17804 205.2
[M+CH3COO]- 447.19369 221.7
[M+Na-2H]- 409.15451 191.3
[M]+ 388.17929 194.1
[M]- 388.18039 194.1
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