CID 488586

Schembl8566134

Structural Information

Molecular Formula
C21H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(CC4)N(C)C
InChI
InChI=1S/C21H26FN3O3/c1-12-18-15(13-4-5-13)10-16(21(27)28)20(26)25(18)11-17(22)19(12)24-8-6-14(7-9-24)23(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,27,28)
InChIKey
AGNNYEGOCKGZLA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-[4-(dimethylamino)piperidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

387.19583 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20311 194.8
[M+Na]+ 410.18505 203.3
[M-H]- 386.18855 201.5
[M+NH4]+ 405.22965 200.0
[M+K]+ 426.15899 197.1
[M+H-H2O]+ 370.19309 184.4
[M+HCOO]- 432.19403 208.6
[M+CH3COO]- 446.20968 229.6
[M+Na-2H]- 408.17050 192.1
[M]+ 387.19528 195.5
[M]- 387.19638 195.5
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

No patent data available for this compound.