CID 1516760

2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n-phenylacetamide

Structural Information

Molecular Formula
C24H22N4O3S
SMILES
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4
InChI
InChI=1S/C24H22N4O3S/c1-30-20-14-12-19(13-15-20)28-22(16-31-21-10-6-3-7-11-21)26-27-24(28)32-17-23(29)25-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,25,29)
InChIKey
OOINDJYQRUMGGA-UHFFFAOYSA-N
Compound name
2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.14127 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14855 204.6
[M+Na]+ 469.13049 211.2
[M-H]- 445.13399 213.7
[M+NH4]+ 464.17509 210.8
[M+K]+ 485.10443 204.5
[M+H-H2O]+ 429.13853 192.9
[M+HCOO]- 491.13947 221.0
[M+CH3COO]- 505.15512 212.8
[M+Na-2H]- 467.11594 205.0
[M]+ 446.14072 209.4
[M]- 446.14182 209.4
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.