CID 479638

Schembl8574465

Structural Information

Molecular Formula
C22H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@H](C4)[C@@H]5CCCN5
InChI
InChI=1S/C22H26FN3O3/c1-12-19-15(13-4-5-13)9-16(22(28)29)21(27)26(19)11-17(23)20(12)25-8-6-14(10-25)18-3-2-7-24-18/h9,11,13-14,18,24H,2-8,10H2,1H3,(H,28,29)/t14-,18+/m1/s1
InChIKey
XUUMKCXZRUZDLD-KDOFPFPSSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-[(3R)-3-[(2S)-pyrrolidin-2-yl]pyrrolidin-1-yl]quinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

399.19583 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20311 194.9
[M+Na]+ 422.18505 203.2
[M-H]- 398.18855 201.3
[M+NH4]+ 417.22965 200.5
[M+K]+ 438.15899 194.4
[M+H-H2O]+ 382.19309 186.3
[M+HCOO]- 444.19403 205.6
[M+CH3COO]- 458.20968 202.1
[M+Na-2H]- 420.17050 187.3
[M]+ 399.19528 192.2
[M]- 399.19638 192.2
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.