CID 10989824

(s)-(+)-2-benzyl-1-(p-tolylsulfonyl)aziridine

Structural Information

Molecular Formula
C16H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]2CC3=CC=CC=C3
InChI
InChI=1S/C16H17NO2S/c1-13-7-9-16(10-8-13)20(18,19)17-12-15(17)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-,17?/m0/s1
InChIKey
ISURUORMAKCTFF-MYJWUSKBSA-N
Compound name
(2S)-2-benzyl-1-(4-methylphenyl)sulfonylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

287.098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10528 170.0
[M+Na]+ 310.08722 185.7
[M+NH4]+ 305.13182 178.9
[M+K]+ 326.06116 177.5
[M-H]- 286.09072 181.4
[M+Na-2H]- 308.07267 181.3
[M]+ 287.09745 177.2
[M]- 287.09855 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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