CID 99802

73805-83-1

Structural Information

Molecular Formula
C18H20NO4PS
SMILES
C1CSC(=O)C1NP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20NO4PS/c20-18-17(11-12-25-18)19-24(21,22-13-15-7-3-1-4-8-15)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21)
InChIKey
HJZKRKJNSYCZJW-UHFFFAOYSA-N
Compound name
3-[bis(phenylmethoxy)phosphorylamino]thiolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

377.08505 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09233 183.5
[M+Na]+ 400.07427 187.3
[M-H]- 376.07777 191.2
[M+NH4]+ 395.11887 196.9
[M+K]+ 416.04821 183.7
[M+H-H2O]+ 360.08231 172.7
[M+HCOO]- 422.08325 206.9
[M+CH3COO]- 436.09890 214.1
[M+Na-2H]- 398.05972 182.5
[M]+ 377.08450 185.6
[M]- 377.08560 185.6
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