CID 1381886

Brn 5120648

Structural Information

Molecular Formula
C23H25N2PS
SMILES
C1N(CP(=S)(CN1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H25N2PS/c27-26(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-26)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKey
GUWBBROPDZLTGI-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-phenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1476 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15488 191.0
[M+Na]+ 415.13682 195.8
[M-H]- 391.14032 198.2
[M+NH4]+ 410.18142 201.3
[M+K]+ 431.11076 188.1
[M+H-H2O]+ 375.14486 176.4
[M+HCOO]- 437.14580 208.5
[M+CH3COO]- 451.16145 198.8
[M+Na-2H]- 413.12227 188.7
[M]+ 392.14705 187.1
[M]- 392.14815 187.1
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.