CID 14783637

104608-42-6

Structural Information

Molecular Formula
C19H19N2O4PS
SMILES
CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCOC4=O
InChI
InChI=1S/C19H19N2O4PS/c1-2-25-26(23,21-11-12-24-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
InChIKey
AMXIVYJIQFAWRM-UHFFFAOYSA-N
Compound name
3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.08032 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08760 190.5
[M+Na]+ 425.06954 198.9
[M-H]- 401.07304 199.1
[M+NH4]+ 420.11414 202.9
[M+K]+ 441.04348 196.3
[M+H-H2O]+ 385.07758 180.7
[M+HCOO]- 447.07852 211.3
[M+CH3COO]- 461.09417 217.3
[M+Na-2H]- 423.05499 188.0
[M]+ 402.07977 196.8
[M]- 402.08087 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

literature stripe

Patent stripe

No patent data available for this compound.