CID 2304969

1,3,5-diazaphosphorine, hexahydro-1,3,5-triphenyl-, 5-sulfide

Structural Information

Molecular Formula
C21H21N2PS
SMILES
C1N(CP(=S)(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H21N2PS/c25-24(21-14-8-3-9-15-21)17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKey
ATGUOSQRZVKNIA-UHFFFAOYSA-N
Compound name
1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1163 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12358 182.6
[M+Na]+ 387.10552 188.4
[M-H]- 363.10902 190.2
[M+NH4]+ 382.15012 194.1
[M+K]+ 403.07946 181.1
[M+H-H2O]+ 347.11356 168.5
[M+HCOO]- 409.11450 200.8
[M+CH3COO]- 423.13015 191.3
[M+Na-2H]- 385.09097 181.3
[M]+ 364.11575 178.1
[M]- 364.11685 178.1
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.