CID 979050

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

Structural Information

Molecular Formula
C20H20N4O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3
InChI
InChI=1S/C20H20N4O2S/c1-3-13-24-19(15-7-5-4-6-8-15)22-23-20(24)27-14-18(25)21-16-9-11-17(26-2)12-10-16/h3-12H,1,13-14H2,2H3,(H,21,25)
InChIKey
ZMFIZXVPZXATJL-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13798 190.1
[M+Na]+ 403.11992 203.2
[M+NH4]+ 398.16452 196.1
[M+K]+ 419.09386 195.4
[M-H]- 379.12342 194.4
[M+Na-2H]- 401.10537 198.1
[M]+ 380.13015 193.5
[M]- 380.13125 193.5
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

No patent data available for this compound.