CID 6880419

478257-94-2

Structural Information

Molecular Formula
C24H22N4O3S
SMILES
COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
InChI
InChI=1S/C24H22N4O3S/c1-29-20-10-6-9-19(14-20)23-26-27-24(32)28(23)25-15-18-11-12-21(22(13-18)30-2)31-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3,(H,27,32)/b25-15+
InChIKey
ZHPSZZSUZUNKQM-MFKUBSTISA-N
Compound name
3-(3-methoxyphenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.14127 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14855 207.1
[M+Na]+ 469.13049 222.8
[M+NH4]+ 464.17509 213.1
[M+K]+ 485.10443 213.7
[M-H]- 445.13399 213.9
[M+Na-2H]- 467.11594 217.4
[M]+ 446.14072 211.8
[M]- 446.14182 211.8
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.