CID 175544

93502-34-2

Structural Information

Molecular Formula
C15H23N2O6PS2
SMILES
CCC(C)SP(=O)(N(C)C(=O)C(=O)OC1=CC=CC=C1)N(C)S(=O)(=O)C
InChI
InChI=1S/C15H23N2O6PS2/c1-6-12(2)25-24(20,17(4)26(5,21)22)16(3)14(18)15(19)23-13-10-8-7-9-11-13/h7-12H,6H2,1-5H3
InChIKey
MNSUWPMKZWUWSH-UHFFFAOYSA-N
Compound name
phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.07352 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08080 189.1
[M+Na]+ 445.06274 191.0
[M-H]- 421.06624 192.6
[M+NH4]+ 440.10734 199.9
[M+K]+ 461.03668 190.8
[M+H-H2O]+ 405.07078 178.5
[M+HCOO]- 467.07172 205.2
[M+CH3COO]- 481.08737 229.5
[M+Na-2H]- 443.04819 187.9
[M]+ 422.07297 197.2
[M]- 422.07407 197.2
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