CID 49773885

Dichloro-cyclopropyl-6-fluoro-4-methoxy-5-(3-methylpiperazin-1-yl)[?]one

Structural Information

Molecular Formula
C19H24FN3O4
SMILES
CC1CN(CCN1)C2=C(C=C3C(C(=CN(C3=C2OC)C4CC4)C(=O)O)O)F
InChI
InChI=1S/C19H24FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,17,21,24H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
BYRVYOOQNRVMQT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-hydroxy-8-methoxy-7-(3-methylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17508 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18236 195.1
[M+Na]+ 400.16430 203.2
[M-H]- 376.16780 196.6
[M+NH4]+ 395.20890 197.7
[M+K]+ 416.13824 195.3
[M+H-H2O]+ 360.17234 185.2
[M+HCOO]- 422.17328 202.6
[M+CH3COO]- 436.18893 217.7
[M+Na-2H]- 398.14975 191.7
[M]+ 377.17453 192.6
[M]- 377.17563 192.6
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.