CID 120485

Brn 2740878

Structural Information

Molecular Formula
C17H22NPS
SMILES
CN(C)CCCP(=S)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H22NPS/c1-18(2)14-9-15-19(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3
InChIKey
SPUZMVJOAKRHLR-UHFFFAOYSA-N
Compound name
3-diphenylphosphinothioyl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.12106 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12834 170.3
[M+Na]+ 326.11028 182.9
[M+NH4]+ 321.15488 179.5
[M+K]+ 342.08422 172.7
[M-H]- 302.11378 175.8
[M+Na-2H]- 324.09573 179.6
[M]+ 303.12051 174.3
[M]- 303.12161 174.3
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