CID 207866

Brn 2177509

Structural Information

Molecular Formula
C14H24NO5PS2
SMILES
CC(C)N(C(C)C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C14H24NO5PS2/c1-11(2)15(12(3)4)23(16,17)14-9-7-13(8-10-14)20-21(22,18-5)19-6/h7-12H,1-6H3
InChIKey
NAVFUJRKLGUZHF-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N,N-di(propan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.08334 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09062 182.0
[M+Na]+ 404.07256 187.9
[M+NH4]+ 399.11716 186.4
[M+K]+ 420.04650 183.0
[M-H]- 380.07606 180.5
[M+Na-2H]- 402.05801 183.9
[M]+ 381.08279 183.0
[M]- 381.08389 183.0
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.