CID 124048

112811-60-6

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C18H20FN3O4/c1-26-17-14-11(6-13(19)15(17)21-5-4-9(20)7-21)16(23)12(18(24)25)8-22(14)10-2-3-10/h6,8-10H,2-5,7,20H2,1H3,(H,24,25)
InChIKey
DWUDIDPUESEORN-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

361.1438 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 182.7
[M+Na]+ 384.13302 193.1
[M-H]- 360.13652 188.9
[M+NH4]+ 379.17762 190.0
[M+K]+ 400.10696 185.9
[M+H-H2O]+ 344.14106 174.3
[M+HCOO]- 406.14200 198.7
[M+CH3COO]- 420.15765 219.2
[M+Na-2H]- 382.11847 180.1
[M]+ 361.14325 184.2
[M]- 361.14435 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe