CID 389290

Nsc685109

Structural Information

Molecular Formula
C21H17NO3S
SMILES
C1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H17NO3S/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)26(24,25)18-14-8-3-9-15-18/h1-15,19-20H
InChIKey
VYYHECSZIFMLKM-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)-3-phenylaziridin-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.09293 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10021 180.8
[M+Na]+ 386.08215 189.6
[M-H]- 362.08565 192.2
[M+NH4]+ 381.12675 187.1
[M+K]+ 402.05609 183.7
[M+H-H2O]+ 346.09019 171.6
[M+HCOO]- 408.09113 197.5
[M+CH3COO]- 422.10678 190.9
[M+Na-2H]- 384.06760 183.9
[M]+ 363.09238 184.7
[M]- 363.09348 184.7
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.