CID 73388382

Dimesulfazet

Structural Information

Molecular Formula
C13H15F3N2O3S
SMILES
CC1(CN(C1=O)CC2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C
InChI
InChI=1S/C13H15F3N2O3S/c1-12(2)8-18(11(12)19)7-9-5-3-4-6-10(9)17-22(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKey
FITSYTCYOITKJL-UHFFFAOYSA-N
Compound name
N-[2-[(3,3-dimethyl-2-oxoazetidin-1-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

641
Patents

336.07556 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08284 180.9
[M+Na]+ 359.06478 183.5
[M+NH4]+ 354.10938 181.7
[M+K]+ 375.03872 178.2
[M-H]- 335.06828 174.6
[M+Na-2H]- 357.05023 181.7
[M]+ 336.07501 178.6
[M]- 336.07611 178.6
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

patents stripe