CID 207868

N,n-diisobutyl-p-hydroxybenzenesulfonamide o,o-dimethyl phosphorothioate

Structural Information

Molecular Formula
C16H28NO5PS2
SMILES
CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C16H28NO5PS2/c1-13(2)11-17(12-14(3)4)25(18,19)16-9-7-15(8-10-16)22-23(24,20-5)21-6/h7-10,13-14H,11-12H2,1-6H3
InChIKey
REIWMCAVNQEIRY-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N,N-bis(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11465 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12193 189.7
[M+Na]+ 432.10387 192.7
[M-H]- 408.10737 192.0
[M+NH4]+ 427.14847 201.3
[M+K]+ 448.07781 190.9
[M+H-H2O]+ 392.11191 179.4
[M+HCOO]- 454.11285 204.5
[M+CH3COO]- 468.12850 226.3
[M+Na-2H]- 430.08932 187.3
[M]+ 409.11410 198.9
[M]- 409.11520 198.9
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.