CID 3003158

Schembl8132606

Structural Information

Molecular Formula
C16H16N4O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=CN=C4CO3
InChI
InChI=1S/C16H16N4O3S/c1-10(24)18-7-12-8-20(16(21)23-12)11-2-3-13-14(6-11)22-9-15-17-4-5-19(13)15/h2-6,12H,7-9H2,1H3,(H,18,24)/t12-/m0/s1
InChIKey
IOROLFPQLLJTIU-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10158 178.4
[M+Na]+ 367.08352 187.5
[M-H]- 343.08702 184.9
[M+NH4]+ 362.12812 191.4
[M+K]+ 383.05746 185.1
[M+H-H2O]+ 327.09156 171.9
[M+HCOO]- 389.09250 189.9
[M+CH3COO]- 403.10815 188.9
[M+Na-2H]- 365.06897 177.9
[M]+ 344.09375 181.8
[M]- 344.09485 181.8
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

patents stripe