CID 135613277

3-allyl-2-hydroxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]hydrazone

Structural Information

Molecular Formula
C20H21N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=CC(=C3O)CC=C
InChI
InChI=1S/C20H21N5O2S/c1-3-6-14-7-5-8-16(18(14)26)13-21-24-25-19(22-23-20(25)28)15-9-11-17(12-10-15)27-4-2/h3,5,7-13,24,26H,1,4,6H2,2H3,(H,23,28)/b21-13+
InChIKey
RGZXKMHJVRLSHA-FYJGNVAPSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1416 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14888 195.1
[M+Na]+ 418.13082 207.3
[M+NH4]+ 413.17542 200.0
[M+K]+ 434.10476 199.8
[M-H]- 394.13432 199.1
[M+Na-2H]- 416.11627 201.8
[M]+ 395.14105 198.1
[M]- 395.14215 198.1
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.