CID 479781

Chembl131907

Structural Information

Molecular Formula
C22H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC[C@@H](C4)NC5CC5
InChI
InChI=1S/C22H26FN3O3/c1-12-19-16(13-4-5-13)9-17(22(28)29)21(27)26(19)11-18(23)20(12)25-8-2-3-15(10-25)24-14-6-7-14/h9,11,13-15,24H,2-8,10H2,1H3,(H,28,29)/t15-/m0/s1
InChIKey
GBAQZLHLPDANSD-HNNXBMFYSA-N
Compound name
1-cyclopropyl-8-[(3S)-3-(cyclopropylamino)piperidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

399.19583 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20311 199.6
[M+Na]+ 422.18505 206.2
[M-H]- 398.18855 206.4
[M+NH4]+ 417.22965 198.3
[M+K]+ 438.15899 199.3
[M+H-H2O]+ 382.19309 190.9
[M+HCOO]- 444.19403 211.0
[M+CH3COO]- 458.20968 204.6
[M+Na-2H]- 420.17050 195.9
[M]+ 399.19528 199.8
[M]- 399.19638 199.8
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.