CID 207867

Brn 2182087

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11465 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12193 191.4
[M+Na]+ 432.10387 195.1
[M-H]- 408.10737 193.6
[M+NH4]+ 427.14847 203.2
[M+K]+ 448.07781 192.0
[M+H-H2O]+ 392.11191 180.7
[M+HCOO]- 454.11285 208.4
[M+CH3COO]- 468.12850 224.8
[M+Na-2H]- 430.08932 190.5
[M]+ 409.11410 201.7
[M]- 409.11520 201.7
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.