CID 21507237

55526-73-3

Structural Information

Molecular Formula
C26H38NO2PS
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=S)(NC2CCCCC2)OC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C26H38NO2PS/c1-25(2,3)20-12-16-23(17-13-20)28-30(31,27-22-10-8-7-9-11-22)29-24-18-14-21(15-19-24)26(4,5)6/h12-19,22H,7-11H2,1-6H3,(H,27,31)
InChIKey
XEJUCXJOKQACMB-UHFFFAOYSA-N
Compound name
N-bis(4-tert-butylphenoxy)phosphinothioylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

459.23608 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24336 212.6
[M+Na]+ 482.22530 213.6
[M-H]- 458.22880 218.9
[M+NH4]+ 477.26990 221.4
[M+K]+ 498.19924 208.9
[M+H-H2O]+ 442.23334 200.9
[M+HCOO]- 504.23428 227.3
[M+CH3COO]- 518.24993 235.7
[M+Na-2H]- 480.21075 210.9
[M]+ 459.23553 212.2
[M]- 459.23663 212.2
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