CID 389292

Nsc685111

Structural Information

Molecular Formula
C21H25NO3S
SMILES
CC1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C(C)(C)C
InChI
InChI=1S/C21H25NO3S/c1-14-6-10-16(11-7-14)18-19(20(23)21(3,4)5)22(18)26(24,25)17-12-8-15(2)9-13-17/h6-13,18-19H,1-5H3
InChIKey
KWYXQHAUBJOQFR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-[3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15552 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.162796 184.0
[M+Na]+ 394.144738 193.3
[M-H]- 370.148244 193.1
[M+NH4]+ 389.189343 191.2
[M+K]+ 410.118678 187.8
[M+H-H2O]+ 354.152780 176.1
[M+HCOO]- 416.153721 197.4
[M+CH3COO]- 430.169371 218.9
[M+Na-2H]- 392.130186 184.6
[M]+ 371.15497142 191.0
[M]- 371.15606858 191.0
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.