CID 6448581

N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-2,4-hexadienamide

Structural Information

Molecular Formula
C13H14F3N3O3S
SMILES
C/C=C/C=C/C(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C13H14F3N3O3S/c1-3-4-5-6-11(20)18-10-7-9(13(14,15)16)8-17-12(10)19-23(2,21)22/h3-8H,1-2H3,(H,17,19)(H,18,20)/b4-3+,6-5+
InChIKey
KGRLVMKLVFWFAW-VNKDHWASSA-N
Compound name
(2E,4E)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]hexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0708 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07808 174.4
[M+Na]+ 372.06002 181.8
[M-H]- 348.06352 172.7
[M+NH4]+ 367.10462 186.1
[M+K]+ 388.03396 176.1
[M+H-H2O]+ 332.06806 164.6
[M+HCOO]- 394.06900 187.2
[M+CH3COO]- 408.08465 211.1
[M+Na-2H]- 370.04547 176.3
[M]+ 349.07025 172.7
[M]- 349.07135 172.7
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.