CID 979038

N-(4-ethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C20H21N5O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3
InChI
InChI=1S/C20H21N5O2S/c1-3-13-25-19(15-9-11-21-12-10-15)23-24-20(25)28-14-18(26)22-16-5-7-17(8-6-16)27-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,22,26)
InChIKey
FKYKPUOGOUQDHM-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14888 193.4
[M+Na]+ 418.13082 206.2
[M+NH4]+ 413.17542 198.5
[M+K]+ 434.10476 198.8
[M-H]- 394.13432 196.8
[M+Na-2H]- 416.11627 200.9
[M]+ 395.14105 196.4
[M]- 395.14215 196.4
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.