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 190.2
[M+Na]+ 416.12908 197.6
[M-H]- 392.13258 201.0
[M+NH4]+ 411.17368 195.2
[M+K]+ 432.10302 192.1
[M+H-H2O]+ 376.13712 180.7
[M+HCOO]- 438.13806 205.6
[M+CH3COO]- 452.15371 218.0
[M+Na-2H]- 414.11453 194.9
[M]+ 393.13931 194.9
[M]- 393.14041 194.9
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.