CID 153541985

2412761-99-8

Structural Information

Molecular Formula
C16H20F2N2O3S
SMILES
COC1=C(C=C(C=N1)NS(=O)(=O)C=C)/C=C/C2CCC(CC2)(F)F
InChI
InChI=1S/C16H20F2N2O3S/c1-3-24(21,22)20-14-10-13(15(23-2)19-11-14)5-4-12-6-8-16(17,18)9-7-12/h3-5,10-12,20H,1,6-9H2,2H3/b5-4+
InChIKey
XWUDDEWKGTZJNH-SNAWJCMRSA-N
Compound name
N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl]ethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

358.11627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12355 178.6
[M+Na]+ 381.10549 185.3
[M-H]- 357.10899 180.5
[M+NH4]+ 376.15009 192.0
[M+K]+ 397.07943 179.7
[M+H-H2O]+ 341.11353 169.5
[M+HCOO]- 403.11447 190.2
[M+CH3COO]- 417.13012 211.5
[M+Na-2H]- 379.09094 180.0
[M]+ 358.11572 176.5
[M]- 358.11682 176.5
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