CID 207877

Brn 2181558

Structural Information

Molecular Formula
C16H28NO5PS2
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C16H28NO5PS2/c1-7-20-23(24,21-8-2)22-15-9-11-16(12-10-15)25(18,19)17(13(3)4)14(5)6/h9-14H,7-8H2,1-6H3
InChIKey
PPSAVVPBYABXGF-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxy-N,N-di(propan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11465 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12193 189.8
[M+Na]+ 432.10387 195.3
[M+NH4]+ 427.14847 193.9
[M+K]+ 448.07781 190.0
[M-H]- 408.10737 188.2
[M+Na-2H]- 430.08932 191.3
[M]+ 409.11410 190.7
[M]- 409.11520 190.7
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.