CID 252458

Nsc74418

Structural Information

Molecular Formula
C26H49N2PS
SMILES
CCCCCCCCCCNP(=S)(C1=CC=CC=C1)NCCCCCCCCCC
InChI
InChI=1S/C26H49N2PS/c1-3-5-7-9-11-13-15-20-24-27-29(30,26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3,(H2,27,28,30)
InChIKey
NJWVOJGLPNIJRF-UHFFFAOYSA-N
Compound name
N-[(decylamino)-phenylphosphinothioyl]decan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.33542 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.34270 219.7
[M+Na]+ 475.32464 218.1
[M-H]- 451.32814 218.5
[M+NH4]+ 470.36924 229.0
[M+K]+ 491.29858 210.5
[M+H-H2O]+ 435.33268 207.4
[M+HCOO]- 497.33362 239.2
[M+CH3COO]- 511.34927 242.4
[M+Na-2H]- 473.31009 214.1
[M]+ 452.33487 226.0
[M]- 452.33597 226.0
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.