CID 117086

71215-96-8

Structural Information

Molecular Formula
C19H19ClF3N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N(C)C(=O)Cl)CN(C)C(=O)C(F)(F)F
InChI
InChI=1S/C19H19ClF3N3O4S/c1-12-4-7-15(8-5-12)31(29,30)24-14-6-9-16(26(3)18(20)28)13(10-14)11-25(2)17(27)19(21,22)23/h4-10,24H,11H2,1-3H3
InChIKey
UNOYQELXGALVLI-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.0737 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.08098 198.7
[M+Na]+ 500.06292 204.3
[M+NH4]+ 495.10752 200.9
[M+K]+ 516.03686 200.2
[M-H]- 476.06642 196.5
[M+Na-2H]- 498.04837 202.2
[M]+ 477.07315 199.0
[M]- 477.07425 199.0
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.