CID 504422

Schembl6759911

Structural Information

Molecular Formula
C30H31F2N5O7
SMILES
CCOC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)F
InChI
InChI=1S/C30H31F2N5O7/c1-2-43-29(41)33-14-19-15-37(30(42)44-19)18-5-6-24(22(31)11-18)34-7-9-35(10-8-34)26-13-25-20(12-23(26)32)27(38)21(28(39)40)16-36(25)17-3-4-17/h5-6,11-13,16-17,19H,2-4,7-10,14-15H2,1H3,(H,33,41)(H,39,40)/t19-/m0/s1
InChIKey
WWBABEDKMFLYPI-IBGZPJMESA-N
Compound name
1-cyclopropyl-7-[4-[4-[(5S)-5-[(ethoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

611.2192 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.22648 246.1
[M+Na]+ 634.20842 251.9
[M-H]- 610.21192 253.8
[M+NH4]+ 629.25302 238.3
[M+K]+ 650.18236 244.9
[M+H-H2O]+ 594.21646 233.2
[M+HCOO]- 656.21740 251.6
[M+CH3COO]- 670.23305 264.3
[M+Na-2H]- 632.19387 237.1
[M]+ 611.21865 246.8
[M]- 611.21975 246.8
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.