CID 200985

Brn 2706692

Structural Information

Molecular Formula
C12H22N3O3PS2
SMILES
CCNP(=S)(NCC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H22N3O3PS2/c1-5-13-19(20,14-6-2)18-11-7-9-12(10-8-11)21(16,17)15(3)4/h7-10H,5-6H2,1-4H3,(H2,13,14,20)
InChIKey
MFMQFBZDVIIOIM-UHFFFAOYSA-N
Compound name
4-[bis(ethylamino)phosphinothioyloxy]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09128 174.1
[M+Na]+ 374.07322 178.1
[M-H]- 350.07672 176.6
[M+NH4]+ 369.11782 187.5
[M+K]+ 390.04716 174.4
[M+H-H2O]+ 334.08126 163.4
[M+HCOO]- 396.08220 193.3
[M+CH3COO]- 410.09785 219.0
[M+Na-2H]- 372.05867 175.5
[M]+ 351.08345 178.3
[M]- 351.08455 178.3
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.