CID 384770

Nsc675206

Structural Information

Molecular Formula
C27H32F4N4O6
SMILES
CCOC(=O)C(C(F)(F)F)(NC(=O)CC(C)C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C27H32F4N4O6/c1-4-41-25(40)26(27(29,30)31,32-22(36)11-15(2)3)34-9-7-33(8-10-34)21-13-20-17(12-19(21)28)23(37)18(24(38)39)14-35(20)16-5-6-16/h12-16H,4-11H2,1-3H3,(H,32,36)(H,38,39)
InChIKey
GWPKZONJLJLQMW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-trifluoro-2-(3-methylbutanoylamino)-3-oxopropan-2-yl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.22577 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.23305 231.7
[M+Na]+ 607.21499 236.0
[M-H]- 583.21849 231.0
[M+NH4]+ 602.25959 226.3
[M+K]+ 623.18893 229.6
[M+H-H2O]+ 567.22303 219.6
[M+HCOO]- 629.22397 233.7
[M+CH3COO]- 643.23962 258.7
[M+Na-2H]- 605.20044 227.1
[M]+ 584.22522 230.2
[M]- 584.22632 230.2
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.