CID 242982

89169-29-9

Structural Information

Molecular Formula
C16H25N2PS
SMILES
C1CCN(CC1)P(=S)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C16H25N2PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKey
BKAVFXANEDZDFG-UHFFFAOYSA-N
Compound name
phenyl-di(piperidin-1-yl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1476 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15488 170.2
[M+Na]+ 331.13682 171.4
[M-H]- 307.14032 173.4
[M+NH4]+ 326.18142 182.0
[M+K]+ 347.11076 166.6
[M+H-H2O]+ 291.14486 157.9
[M+HCOO]- 353.14580 183.2
[M+CH3COO]- 367.16145 201.6
[M+Na-2H]- 329.12227 167.4
[M]+ 308.14705 161.5
[M]- 308.14815 161.5
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.