CID 6880244

613249-65-3

Structural Information

Molecular Formula
C23H20N4O2S
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2S/c1-2-28-20-12-7-9-18(15-20)22-25-26-23(30)27(22)24-16-17-8-6-13-21(14-17)29-19-10-4-3-5-11-19/h3-16H,2H2,1H3,(H,26,30)/b24-16+
InChIKey
GHOXDBKEHJOBQN-LFVJCYFKSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1307 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13798 198.7
[M+Na]+ 439.11992 214.8
[M+NH4]+ 434.16452 205.4
[M+K]+ 455.09386 205.2
[M-H]- 415.12342 205.9
[M+Na-2H]- 437.10537 210.0
[M]+ 416.13015 203.6
[M]- 416.13125 203.6
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.