CID 170456063

7-[2-aminoethyl(2-oxopropyl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C2C(=CC(=C1F)N(CCN)CC(=O)C)N(C=C(C2=O)C(=O)O)C3CC3
InChI
InChI=1S/C19H22FN3O4/c1-10(24)8-22(6-5-21)15-7-14-16(11(2)17(15)20)18(25)13(19(26)27)9-23(14)12-3-4-12/h7,9,12H,3-6,8,21H2,1-2H3,(H,26,27)
InChIKey
WSYBXLDRBPDACP-UHFFFAOYSA-N
Compound name
7-[2-aminoethyl(2-oxopropyl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 184.9
[M+Na]+ 398.148638 194.2
[M-H]- 374.152144 190.4
[M+NH4]+ 393.193243 191.7
[M+K]+ 414.122578 188.4
[M+H-H2O]+ 358.156680 176.3
[M+HCOO]- 420.157621 203.4
[M+CH3COO]- 434.173271 229.8
[M+Na-2H]- 396.134086 183.4
[M]+ 375.15887142 189.5
[M]- 375.15996858 189.5
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.