CID 3349204

540775-01-7

Structural Information

Molecular Formula
C22H24N4O2S2
SMILES
CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C22H24N4O2S2/c1-4-12-26-20(14-29-19-10-8-16(2)9-11-19)24-25-22(26)30-15-21(27)23-17-6-5-7-18(13-17)28-3/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)
InChIKey
HWOQMAGDYDGPDX-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-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

440.13406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14134 202.7
[M+Na]+ 463.12328 214.9
[M+NH4]+ 458.16788 208.6
[M+K]+ 479.09722 205.1
[M-H]- 439.12678 207.0
[M+Na-2H]- 461.10873 209.2
[M]+ 440.13351 206.5
[M]- 440.13461 206.5
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.