CID 576319

1-(4-methylbenzenesulfonyl)-2-phenylaziridine

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC2C3=CC=CC=C3
InChI
InChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey
KUWCTOOXSUPLAW-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

273.08234 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.089616 159.1
[M+Na]+ 296.071558 169.6
[M-H]- 272.075064 168.4
[M+NH4]+ 291.116163 169.8
[M+K]+ 312.045498 164.4
[M+H-H2O]+ 256.079600 151.1
[M+HCOO]- 318.080541 176.9
[M+CH3COO]- 332.096191 197.8
[M+Na-2H]- 294.057006 163.2
[M]+ 273.08179142 163.6
[M]- 273.08288858 163.6
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