CID 3003166

N-({5-[4-((5s)-2-oxo-5-{[(thioxoethyl)amino]methyl}(1,3-oxazolidin-3-yl))-2-fluorophenyl](1,3,4-thiadiazol-2-yl)}methyl)-n-methylcarboxamide

Structural Information

Molecular Formula
C17H18FN5O3S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)CN(C)C=O)F
InChI
InChI=1S/C17H18FN5O3S2/c1-10(27)19-6-12-7-23(17(25)26-12)11-3-4-13(14(18)5-11)16-21-20-15(28-16)8-22(2)9-24/h3-5,9,12H,6-8H2,1-2H3,(H,19,27)/t12-/m0/s1
InChIKey
TXCALVAMCSRXLK-LBPRGKRZSA-N
Compound name
N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0835 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09078 196.0
[M+Na]+ 446.07272 204.4
[M-H]- 422.07622 203.5
[M+NH4]+ 441.11732 205.7
[M+K]+ 462.04666 200.0
[M+H-H2O]+ 406.08076 187.7
[M+HCOO]- 468.08170 206.4
[M+CH3COO]- 482.09735 229.0
[M+Na-2H]- 444.05817 190.5
[M]+ 423.08295 200.4
[M]- 423.08405 200.4
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.