CID 9173949

N-(4-{2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}phenyl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C16H14FN3O2S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O2S2/c1-24(21,22)20-14-6-2-11(3-7-14)15-10-23-16(19-15)18-13-8-4-12(17)5-9-13/h2-10,20H,1H3,(H,18,19)
InChIKey
XEWWOOJLQFPTAA-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.05115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05843 178.1
[M+Na]+ 386.04037 189.1
[M+NH4]+ 381.08497 185.1
[M+K]+ 402.01431 180.9
[M-H]- 362.04387 182.3
[M+Na-2H]- 384.02582 186.4
[M]+ 363.05060 181.7
[M]- 363.05170 181.7
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.