CID 497429

Schembl5834456

Structural Information

Molecular Formula
C18H22FN5O5S
SMILES
CS(=O)(=O)N[C@H]1CCN(C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C18H22FN5O5S/c1-30(26,27)22-12-4-6-23(10-12)16-3-2-13(8-15(16)19)24-11-14(29-18(24)25)9-20-17-5-7-28-21-17/h2-3,5,7-8,12,14,22H,4,6,9-11H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKey
XVLUDADKQJFTBO-JSGCOSHPSA-N
Compound name
N-[(3S)-1-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.13257 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13985 197.3
[M+Na]+ 462.12179 204.0
[M-H]- 438.12529 207.9
[M+NH4]+ 457.16639 205.3
[M+K]+ 478.09573 202.5
[M+H-H2O]+ 422.12983 190.1
[M+HCOO]- 484.13077 210.7
[M+CH3COO]- 498.14642 227.4
[M+Na-2H]- 460.10724 194.0
[M]+ 439.13202 199.3
[M]- 439.13312 199.3
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.