CID 488572

Schembl7502911

Structural Information

Molecular Formula
C22H28FN3O3
SMILES
CCNCC1CCN(CC1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C
InChI
InChI=1S/C22H28FN3O3/c1-3-24-11-14-6-8-25(9-7-14)20-13(2)19-16(15-4-5-15)10-17(22(28)29)21(27)26(19)12-18(20)23/h10,12,14-15,24H,3-9,11H2,1-2H3,(H,28,29)
InChIKey
UJGREWJOSAQCLE-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-[4-(ethylaminomethyl)piperidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

401.21146 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21874 198.7
[M+Na]+ 424.20068 206.7
[M-H]- 400.20418 203.9
[M+NH4]+ 419.24528 202.8
[M+K]+ 440.17462 199.0
[M+H-H2O]+ 384.20872 188.3
[M+HCOO]- 446.20966 211.8
[M+CH3COO]- 460.22531 229.4
[M+Na-2H]- 422.18613 196.3
[M]+ 401.21091 198.6
[M]- 401.21201 198.6
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.