CID 44542267

701291-86-3

Structural Information

Molecular Formula
C26H24NO3PS
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24NO3PS/c1-21-17-19-25(20-18-21)32(29,30)26(22-11-5-2-6-12-22)27-31(28,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3,(H,27,28)
InChIKey
PNTGCTVNEJGLKY-UHFFFAOYSA-N
Compound name
N-diphenylphosphoryl-1-(4-methylphenyl)sulfonyl-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.12146 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.12874 207.7
[M+Na]+ 484.11068 211.4
[M-H]- 460.11418 218.0
[M+NH4]+ 479.15528 214.9
[M+K]+ 500.08462 205.4
[M+H-H2O]+ 444.11872 194.4
[M+HCOO]- 506.11966 228.4
[M+CH3COO]- 520.13531 231.8
[M+Na-2H]- 482.09613 209.0
[M]+ 461.12091 207.5
[M]- 461.12201 207.6
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

No patent data available for this compound.