CID 504418

Schembl6625999

Structural Information

Molecular Formula
C30H31F2N5O7
SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(C4)N(C)C5=C(C=C(C=C5)N6C[C@@H](OC6=O)CNC(=O)C)F)F)C(=O)O
InChI
InChI=1S/C30H31F2N5O7/c1-15-14-43-28-25-20(27(39)21(29(40)41)13-36(15)25)9-23(32)26(28)35-7-6-18(11-35)34(3)24-5-4-17(8-22(24)31)37-12-19(44-30(37)42)10-33-16(2)38/h4-5,8-9,13,15,18-19H,6-7,10-12,14H2,1-3H3,(H,33,38)(H,40,41)/t15?,18?,19-/m0/s1
InChIKey
AQLMIPGGOYKZPA-PPSBMQLTSA-N
Compound name
6-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-methylanilino]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

611.2192 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.22648 244.7
[M+Na]+ 634.20842 248.8
[M-H]- 610.21192 253.9
[M+NH4]+ 629.25302 244.5
[M+K]+ 650.18236 247.1
[M+H-H2O]+ 594.21646 233.4
[M+HCOO]- 656.21740 250.7
[M+CH3COO]- 670.23305 273.4
[M+Na-2H]- 632.19387 235.0
[M]+ 611.21865 245.9
[M]- 611.21975 245.9
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.