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

26
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

No literature data available for this compound.

Patent stripe

patents stripe