CID 175543

93501-65-6

Structural Information

Molecular Formula
C7H19N2O3PS2
SMILES
CCC(C)SP(=O)(NC)N(C)S(=O)(=O)C
InChI
InChI=1S/C7H19N2O3PS2/c1-6-7(2)14-13(10,8-3)9(4)15(5,11)12/h7H,6H2,1-5H3,(H,8,10)
InChIKey
ZPIJKCPQQBEQKV-UHFFFAOYSA-N
Compound name
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.05746 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06474 156.2
[M+Na]+ 297.04668 160.7
[M-H]- 273.05018 155.9
[M+NH4]+ 292.09128 173.0
[M+K]+ 313.02062 159.1
[M+H-H2O]+ 257.05472 147.2
[M+HCOO]- 319.05566 173.2
[M+CH3COO]- 333.07131 203.4
[M+Na-2H]- 295.03213 155.6
[M]+ 274.05691 161.1
[M]- 274.05801 161.1
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

patents stripe