CID 479551

Chembl277562

Structural Information

Molecular Formula
C18H22FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)CCOC)F)N3CC[C@@H](C3)N
InChI
InChI=1S/C18H22FN3O4/c1-10-15-11(4-6-26-2)7-13(18(24)25)17(23)22(15)9-14(19)16(10)21-5-3-12(20)8-21/h7,9,12H,3-6,8,20H2,1-2H3,(H,24,25)/t12-/m0/s1
InChIKey
YJJYECDPMIXFOR-LBPRGKRZSA-N
Compound name
8-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-(2-methoxyethyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.15942 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16670 184.9
[M+Na]+ 386.14864 193.7
[M-H]- 362.15214 187.6
[M+NH4]+ 381.19324 197.0
[M+K]+ 402.12258 188.8
[M+H-H2O]+ 346.15668 175.9
[M+HCOO]- 408.15762 200.7
[M+CH3COO]- 422.17327 218.9
[M+Na-2H]- 384.13409 181.9
[M]+ 363.15887 185.1
[M]- 363.15997 185.1
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.