CID 11372270

Ladarixin

Structural Information

Molecular Formula
C11H12F3NO6S2
SMILES
C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C
InChI
InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
InChIKey
DDLPYOCJHQSVSZ-SSDOTTSWSA-N
Compound name
[4-[(2R)-1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

402
Patents

375.00583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01311 181.8
[M+Na]+ 397.99505 185.0
[M+NH4]+ 393.03965 183.0
[M+K]+ 413.96899 181.4
[M-H]- 373.99855 174.6
[M+Na-2H]- 395.98050 181.4
[M]+ 375.00528 180.4
[M]- 375.00638 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe