CID 1187859

477330-08-8

Structural Information

Molecular Formula
C23H19F2N5O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CN=CC=C4
InChI
InChI=1S/C23H19F2N5O2S/c1-2-32-18-8-6-17(7-9-18)30-22(15-4-3-11-26-13-15)28-29-23(30)33-14-21(31)27-16-5-10-19(24)20(25)12-16/h3-13H,2,14H2,1H3,(H,27,31)
InChIKey
IXBWZNLNJWNYRA-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.12274 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.13002 206.6
[M+Na]+ 490.11196 219.6
[M+NH4]+ 485.15656 210.8
[M+K]+ 506.08590 212.2
[M-H]- 466.11546 209.8
[M+Na-2H]- 488.09741 215.0
[M]+ 467.12219 209.6
[M]- 467.12329 209.6
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

No patent data available for this compound.