CID 117043

N-methyl-n-trifluoroacetyl-2-methylamino-5-(4-methylbenzenesulfonamido)benzenemethanamine

Structural Information

Molecular Formula
C18H20F3N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC)CN(C)C(=O)C(F)(F)F
InChI
InChI=1S/C18H20F3N3O3S/c1-12-4-7-15(8-5-12)28(26,27)23-14-6-9-16(22-2)13(10-14)11-24(3)17(25)18(19,20)21/h4-10,22-23H,11H2,1-3H3
InChIKey
SEFXDWDSQVWXEL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12502 191.9
[M+Na]+ 438.10696 197.7
[M-H]- 414.11046 195.7
[M+NH4]+ 433.15156 202.1
[M+K]+ 454.08090 193.6
[M+H-H2O]+ 398.11500 180.5
[M+HCOO]- 460.11594 206.7
[M+CH3COO]- 474.13159 231.8
[M+Na-2H]- 436.09241 193.5
[M]+ 415.11719 191.6
[M]- 415.11829 191.6
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

No patent data available for this compound.