CID 155342988

2563892-44-2

Structural Information

Molecular Formula
C19H19F3N4O2S
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C(F)(F)F)C3=CN(C=N3)C
InChI
InChI=1S/C19H19F3N4O2S/c1-23-29(27,28)15-7-8-17(16(9-15)18-11-26(2)12-25-18)24-10-13-3-5-14(6-4-13)19(20,21)22/h3-9,11-12,23-24H,10H2,1-2H3
InChIKey
TVBGCXJDLVRDSU-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

424.11807 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12535 196.1
[M+Na]+ 447.10729 205.0
[M-H]- 423.11079 200.4
[M+NH4]+ 442.15189 205.3
[M+K]+ 463.08123 197.9
[M+H-H2O]+ 407.11533 184.5
[M+HCOO]- 469.11627 209.7
[M+CH3COO]- 483.13192 227.1
[M+Na-2H]- 445.09274 197.7
[M]+ 424.11752 195.8
[M]- 424.11862 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe