CID 16447998

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

Structural Information

Molecular Formula
C20H23N5O3S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC(=C(C=C3)OCC)OC
InChI
InChI=1S/C20H23N5O3S/c1-4-27-16-9-7-15(8-10-16)19-22-23-20(29)25(19)24-21-13-14-6-11-17(28-5-2)18(12-14)26-3/h6-13,24H,4-5H2,1-3H3,(H,23,29)/b21-13+
InChIKey
HYYLHDPVXDODMM-FYJGNVAPSA-N
Compound name
4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.15216 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15944 198.9
[M+Na]+ 436.14138 211.2
[M+NH4]+ 431.18598 203.8
[M+K]+ 452.11532 203.9
[M-H]- 412.14488 203.2
[M+Na-2H]- 434.12683 205.9
[M]+ 413.15161 202.1
[M]- 413.15271 202.1
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.