CID 485676

Schembl8129670

Structural Information

Molecular Formula
C16H16N4O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=CN=C4CS3
InChI
InChI=1S/C16H16N4O3S/c1-10(21)18-7-12-8-20(16(22)23-12)11-2-3-13-14(6-11)24-9-15-17-4-5-19(13)15/h2-6,12H,7-9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKey
FFKONAFYEXHESU-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzothiazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10158 177.5
[M+Na]+ 367.08352 186.2
[M-H]- 343.08702 183.3
[M+NH4]+ 362.12812 191.6
[M+K]+ 383.05746 183.0
[M+H-H2O]+ 327.09156 170.6
[M+HCOO]- 389.09250 189.7
[M+CH3COO]- 403.10815 187.9
[M+Na-2H]- 365.06897 176.9
[M]+ 344.09375 180.4
[M]- 344.09485 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

No literature data available for this compound.

Patent stripe

patents stripe