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 171.1
[M+Na]+ 326.11028 176.0
[M-H]- 302.11378 177.2
[M+NH4]+ 321.15488 187.2
[M+K]+ 342.08422 171.6
[M+H-H2O]+ 286.11832 160.4
[M+HCOO]- 348.11926 194.8
[M+CH3COO]- 362.13491 209.5
[M+Na-2H]- 324.09573 170.9
[M]+ 303.12051 173.6
[M]- 303.12161 173.6
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