CID 102028001

[(2s)-1-(triphenylmethyl)aziridin-2-yl]methyl methanesulfonate

Structural Information

Molecular Formula
C23H23NO3S
SMILES
CS(=O)(=O)OC[C@@H]1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23NO3S/c1-28(25,26)27-18-22-17-24(22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3/t22-,24?/m0/s1
InChIKey
JBKFOXMTDCBVBA-OWJIYDKWSA-N
Compound name
[(2S)-1-tritylaziridin-2-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13986 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14714 199.7
[M+Na]+ 416.12908 215.7
[M+NH4]+ 411.17368 207.7
[M+K]+ 432.10302 206.8
[M-H]- 392.13258 212.3
[M+Na-2H]- 414.11453 212.9
[M]+ 393.13931 207.4
[M]- 393.14041 207.4
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.