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 180.9
[M+Na]+ 404.07256 184.7
[M-H]- 380.07606 183.6
[M+NH4]+ 399.11716 193.6
[M+K]+ 420.04650 183.4
[M+H-H2O]+ 364.08060 170.9
[M+HCOO]- 426.08154 196.4
[M+CH3COO]- 440.09719 220.5
[M+Na-2H]- 402.05801 179.3
[M]+ 381.08279 189.4
[M]- 381.08389 189.4
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

No patent data available for this compound.