CID 155342988

Ik-930

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

25
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 194.6
[M+Na]+ 447.10729 202.7
[M+NH4]+ 442.15189 197.8
[M+K]+ 463.08123 197.8
[M-H]- 423.11079 193.9
[M+Na-2H]- 445.09274 200.0
[M]+ 424.11752 195.6
[M]- 424.11862 195.6
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

patents stripe