CID 117064454

2119891-89-1

Structural Information

Molecular Formula
C22H22NO2PS
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C[C@H]2C[P@]3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H22NO2PS/c1-16-9-11-20(12-10-16)27(24,25)23-14-19-13-18(23)15-26(19)22-8-4-6-17-5-2-3-7-21(17)22/h2-12,18-19H,13-15H2,1H3/t18-,19-,26+/m0/s1
InChIKey
RGHUOMJULXTHPX-LZJCXSABSA-N
Compound name
(1S,4S,5R)-2-(4-methylphenyl)sulfonyl-5-naphthalen-1-yl-2-aza-5-phosphabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1109 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11818 187.9
[M+Na]+ 418.10012 200.7
[M+NH4]+ 413.14472 197.3
[M+K]+ 434.07406 194.4
[M-H]- 394.10362 192.7
[M+Na-2H]- 416.08557 193.5
[M]+ 395.11035 191.6
[M]- 395.11145 191.6
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.