CID 210228

Brn 2180608

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11465 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12193 191.4
[M+Na]+ 432.10387 197.6
[M+NH4]+ 427.14847 195.7
[M+K]+ 448.07781 190.5
[M-H]- 408.10737 190.2
[M+Na-2H]- 430.08932 193.3
[M]+ 409.11410 192.6
[M]- 409.11520 192.6
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

No patent data available for this compound.