CID 488570

Schembl7499200

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)O)N
InChI
InChI=1S/C18H20FN3O4/c1-8-15-10(9-2-3-9)4-11(18(25)26)17(24)22(15)5-12(19)16(8)21-6-13(20)14(23)7-21/h4-5,9,13-14,23H,2-3,6-7,20H2,1H3,(H,25,26)
InChIKey
SIVZNLBFJGJMDG-UHFFFAOYSA-N
Compound name
8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

361.1438 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 181.9
[M+Na]+ 384.13302 192.8
[M-H]- 360.13652 187.2
[M+NH4]+ 379.17762 188.9
[M+K]+ 400.10696 184.8
[M+H-H2O]+ 344.14106 174.3
[M+HCOO]- 406.14200 196.5
[M+CH3COO]- 420.15765 218.6
[M+Na-2H]- 382.11847 178.4
[M]+ 361.14325 182.3
[M]- 361.14435 182.3
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.