CID 200993

3077-60-9

Structural Information

Molecular Formula
C18H25N2O7PS3
SMILES
CCOP(=S)(OC1=CC=C(C=C1)S(=O)(=O)N(C)C)OC2=CC=C(C=C2)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H25N2O7PS3/c1-6-25-28(29,26-15-7-11-17(12-8-15)30(21,22)19(2)3)27-16-9-13-18(14-10-16)31(23,24)20(4)5/h7-14H,6H2,1-5H3
InChIKey
QDAQLWKMUZYZAL-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylsulfamoyl)phenoxy]-ethoxyphosphinothioyl]oxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.05615 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.06343 207.9
[M+Na]+ 531.04537 210.4
[M-H]- 507.04887 213.1
[M+NH4]+ 526.08997 214.5
[M+K]+ 547.01931 206.9
[M+H-H2O]+ 491.05341 195.6
[M+HCOO]- 553.05435 220.4
[M+CH3COO]- 567.07000 242.4
[M+Na-2H]- 529.03082 212.1
[M]+ 508.05560 215.6
[M]- 508.05670 215.6
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.