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]+ 337.09816 171.2
[M+Na]+ 359.08010 176.6
[M-H]- 335.08360 176.4
[M+NH4]+ 354.12470 186.3
[M+K]+ 375.05404 177.6
[M+H-H2O]+ 319.08814 161.3
[M+HCOO]- 381.08908 196.3
[M+CH3COO]- 395.10473 217.4
[M+Na-2H]- 357.06555 173.4
[M]+ 336.09033 180.6
[M]- 336.09143 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.