CID 10989824

(s)-2-benzyl-1-tosylaziridine

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

18
Patents

287.098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.105276 163.1
[M+Na]+ 310.087218 173.2
[M-H]- 286.090724 172.3
[M+NH4]+ 305.131823 173.3
[M+K]+ 326.061158 167.8
[M+H-H2O]+ 270.095260 155.0
[M+HCOO]- 332.096201 180.6
[M+CH3COO]- 346.111851 200.7
[M+Na-2H]- 308.072666 166.8
[M]+ 287.09745142 168.0
[M]- 287.09854858 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe