CID 483961

1-cyclopropyl-7-fluoro-8-[3-methyl(cyclopropyl)amino-1-pyrrolidinyl]-9-methyl-4(h)-4-oxoquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C22H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)N(C)C5CC5
InChI
InChI=1S/C22H26FN3O3/c1-12-19-16(13-3-4-13)9-17(22(28)29)21(27)26(19)11-18(23)20(12)25-8-7-15(10-25)24(2)14-5-6-14/h9,11,13-15H,3-8,10H2,1-2H3,(H,28,29)/t15-/m0/s1
InChIKey
HPCSEHOWZLDWHU-HNNXBMFYSA-N
Compound name
1-cyclopropyl-8-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.19583 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20311 196.1
[M+Na]+ 422.18505 203.4
[M-H]- 398.18855 204.7
[M+NH4]+ 417.22965 196.9
[M+K]+ 438.15899 196.9
[M+H-H2O]+ 382.19309 188.7
[M+HCOO]- 444.19403 209.5
[M+CH3COO]- 458.20968 202.4
[M+Na-2H]- 420.17050 190.6
[M]+ 399.19528 199.2
[M]- 399.19638 199.2
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.