CID 200992

3077-57-4

Structural Information

Molecular Formula
C12H21N2O5PS
SMILES
CCOP(=O)(N(C)C)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H21N2O5PS/c1-6-18-20(15,13(2)3)19-11-7-9-12(10-8-11)21(16,17)14(4)5/h7-10H,6H2,1-5H3
InChIKey
AIDAMHABCAONPR-UHFFFAOYSA-N
Compound name
4-[dimethylamino(ethoxy)phosphoryl]oxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.098156 171.2
[M+Na]+ 359.080098 176.6
[M-H]- 335.083604 176.4
[M+NH4]+ 354.124703 186.3
[M+K]+ 375.054038 177.6
[M+H-H2O]+ 319.088140 161.3
[M+HCOO]- 381.089081 196.3
[M+CH3COO]- 395.104731 217.4
[M+Na-2H]- 357.065546 173.4
[M]+ 336.09033142 180.6
[M]- 336.09142858 180.6
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.