CID 3058112

Brn 5121824

Structural Information

Molecular Formula
C23H25N2PS
SMILES
CC1=CC=C(C=C1)N2CN(CP(=S)(C2)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H25N2PS/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(27,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKey
ALEYOGYPQCQEEM-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)-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

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15488 191.1
[M+Na]+ 415.13682 197.7
[M-H]- 391.14032 199.1
[M+NH4]+ 410.18142 202.0
[M+K]+ 431.11076 190.0
[M+H-H2O]+ 375.14486 176.9
[M+HCOO]- 437.14580 208.6
[M+CH3COO]- 451.16145 199.6
[M+Na-2H]- 413.12227 187.5
[M]+ 392.14705 188.1
[M]- 392.14815 188.1
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.