CID 16447972

624725-81-1

Structural Information

Molecular Formula
C20H23N5O4S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H23N5O4S/c1-5-29-15-8-6-14(7-9-15)19-22-23-20(30)25(19)24-21-12-13-10-16(26-2)18(28-4)17(11-13)27-3/h6-12,24H,5H2,1-4H3,(H,23,30)/b21-12+
InChIKey
CYSLVTPIQRGBAB-CIAFOILYSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15434 203.1
[M+Na]+ 452.13628 215.1
[M+NH4]+ 447.18088 207.4
[M+K]+ 468.11022 208.6
[M-H]- 428.13978 207.0
[M+Na-2H]- 450.12173 209.4
[M]+ 429.14651 206.1
[M]- 429.14761 206.1
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.