CID 5919647

578745-81-0

Structural Information

Molecular Formula
C20H22N4O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SC/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H22N4O3S/c1-25-16-12-15(13-17(26-2)18(16)27-3)19-22-23-20(24(19)21)28-11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11,21H2,1-3H3/b10-7+
InChIKey
KGDYLPDROZJSPT-JXMROGBWSA-N
Compound name
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

398.14127 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14855 196.3
[M+Na]+ 421.13049 209.6
[M+NH4]+ 416.17509 201.9
[M+K]+ 437.10443 202.1
[M-H]- 397.13399 200.5
[M+Na-2H]- 419.11594 203.1
[M]+ 398.14072 199.7
[M]- 398.14182 199.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.