CID 207869

Brn 2185564

Structural Information

Molecular Formula
C18H32NO5PS2
SMILES
CCCCCN(CCCCC)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C18H32NO5PS2/c1-5-7-9-15-19(16-10-8-6-2)27(20,21)18-13-11-17(12-14-18)24-25(26,22-3)23-4/h11-14H,5-10,15-16H2,1-4H3
InChIKey
UQGOHHLOXOQRMD-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N,N-dipentylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.14597 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15325 200.0
[M+Na]+ 460.13519 202.8
[M-H]- 436.13869 201.8
[M+NH4]+ 455.17979 210.6
[M+K]+ 476.10913 199.3
[M+H-H2O]+ 420.14323 188.9
[M+HCOO]- 482.14417 216.3
[M+CH3COO]- 496.15982 230.5
[M+Na-2H]- 458.12064 198.3
[M]+ 437.14542 210.9
[M]- 437.14652 210.9
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.