CID 479623

Schembl8574325

Structural Information

Molecular Formula
C21H26FN3O3
SMILES
CCNCC1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C
InChI
InChI=1S/C21H26FN3O3/c1-3-23-9-13-6-7-24(10-13)19-12(2)18-15(14-4-5-14)8-16(21(27)28)20(26)25(18)11-17(19)22/h8,11,13-14,23H,3-7,9-10H2,1-2H3,(H,27,28)
InChIKey
RESXDKIPXRHOHW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

387.19583 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20311 192.0
[M+Na]+ 410.18505 201.3
[M-H]- 386.18855 198.0
[M+NH4]+ 405.22965 198.6
[M+K]+ 426.15899 193.2
[M+H-H2O]+ 370.19309 183.0
[M+HCOO]- 432.19403 207.5
[M+CH3COO]- 446.20968 225.9
[M+Na-2H]- 408.17050 188.7
[M]+ 387.19528 193.8
[M]- 387.19638 193.8
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.