CID 85344

Gc 10284

Structural Information

Molecular Formula
C15H21N2O3PS2
SMILES
CCOP(=S)(OCC)SCC(=O)N(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C15H21N2O3PS2/c1-3-19-21(22,20-4-2)23-13-15(18)17(12-8-11-16)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,12-13H2,1-2H3
InChIKey
OXZOAUGOOWQPDM-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-2-diethoxyphosphinothioylsulfanyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07312 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08040 183.7
[M+Na]+ 395.06234 189.6
[M-H]- 371.06584 186.7
[M+NH4]+ 390.10694 195.9
[M+K]+ 411.03628 186.9
[M+H-H2O]+ 355.07038 167.5
[M+HCOO]- 417.07132 197.7
[M+CH3COO]- 431.08697 226.6
[M+Na-2H]- 393.04779 181.4
[M]+ 372.07257 185.7
[M]- 372.07367 185.7
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.