CID 201000

N,n-diethyl-p-hydroxybenzenesulfonamide dimethyl phosphate

Structural Information

Molecular Formula
C12H20NO6PS
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OP(=O)(OC)OC
InChI
InChI=1S/C12H20NO6PS/c1-5-13(6-2)21(15,16)12-9-7-11(8-10-12)19-20(14,17-3)18-4/h7-10H,5-6H2,1-4H3
InChIKey
XBUDJPNXMUOKPC-UHFFFAOYSA-N
Compound name
[4-(diethylsulfamoyl)phenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0749 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08218 171.4
[M+Na]+ 360.06412 177.4
[M-H]- 336.06762 175.1
[M+NH4]+ 355.10872 186.1
[M+K]+ 376.03806 177.5
[M+H-H2O]+ 320.07216 161.9
[M+HCOO]- 382.07310 195.3
[M+CH3COO]- 396.08875 211.1
[M+Na-2H]- 358.04957 173.8
[M]+ 337.07435 181.7
[M]- 337.07545 181.7
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.