CID 170454162

1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-[2-(1-oxopropan-2-ylamino)ethylamino]quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C(C(=CC2=C1C(=O)C(=CN2C3CC3)C(=O)O)NCCNC(C)C=O)F
InChI
InChI=1S/C19H22FN3O4/c1-10(9-24)21-5-6-22-14-7-15-16(11(2)17(14)20)18(25)13(19(26)27)8-23(15)12-3-4-12/h7-10,12,21-22H,3-6H2,1-2H3,(H,26,27)
InChIKey
ARYZTYKWQMBPFB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-[2-(1-oxopropan-2-ylamino)ethylamino]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 184.3
[M+Na]+ 398.148638 193.5
[M-H]- 374.152144 188.9
[M+NH4]+ 393.193243 190.7
[M+K]+ 414.122578 186.7
[M+H-H2O]+ 358.156680 175.7
[M+HCOO]- 420.157621 203.0
[M+CH3COO]- 434.173271 227.2
[M+Na-2H]- 396.134086 184.5
[M]+ 375.15887142 188.7
[M]- 375.15996858 188.7
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.