CID 494088

Nsc111127

Structural Information

Molecular Formula
C21H21NO3PS
SMILES
CS(=O)(=O)NC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20NO3PS/c1-27(24,25)22-21(23)17-26(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/p+1
InChIKey
ZEXXNXQCVLCMNV-UHFFFAOYSA-O
Compound name
[2-(methanesulfonamido)-2-oxoethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.098 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10528 193.2
[M+Na]+ 421.08722 196.8
[M-H]- 397.09072 201.1
[M+NH4]+ 416.13182 203.2
[M+K]+ 437.06116 186.3
[M+H-H2O]+ 381.09526 184.0
[M+HCOO]- 443.09620 214.3
[M+CH3COO]- 457.11185 211.7
[M+Na-2H]- 419.07267 197.9
[M]+ 398.09745 192.6
[M]- 398.09855 192.6
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.