CID 485768

Vrc3437

Structural Information

Molecular Formula
C18H26FN3O3S
SMILES
CCN(CC)CCSC1=C(C=C(C=C1)N2C[C@@H](OC2=O)CNC(=O)C)F
InChI
InChI=1S/C18H26FN3O3S/c1-4-21(5-2)8-9-26-17-7-6-14(10-16(17)19)22-12-15(25-18(22)24)11-20-13(3)23/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKey
KKZVMVNTOZWHOI-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[4-[2-(diethylamino)ethylsulfanyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16788 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17516 192.6
[M+Na]+ 406.15710 197.6
[M-H]- 382.16060 198.2
[M+NH4]+ 401.20170 204.3
[M+K]+ 422.13104 195.0
[M+H-H2O]+ 366.16514 183.2
[M+HCOO]- 428.16608 207.6
[M+CH3COO]- 442.18173 226.3
[M+Na-2H]- 404.14255 188.4
[M]+ 383.16733 196.8
[M]- 383.16843 196.8
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.