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

642
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 171.5
[M+Na]+ 359.06478 178.1
[M-H]- 335.06828 172.6
[M+NH4]+ 354.10938 179.3
[M+K]+ 375.03872 177.1
[M+H-H2O]+ 319.07282 156.9
[M+HCOO]- 381.07376 181.8
[M+CH3COO]- 395.08941 210.3
[M+Na-2H]- 357.05023 173.8
[M]+ 336.07501 179.1
[M]- 336.07611 179.1
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