CID 16447964

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

Structural Information

Molecular Formula
C24H23N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H23N5O2S/c1-2-30-21-14-10-20(11-15-21)23-26-27-24(32)29(23)28-25-16-18-8-12-22(13-9-18)31-17-19-6-4-3-5-7-19/h3-16,28H,2,17H2,1H3,(H,27,32)/b25-16+
InChIKey
NQBCNJSIASKDSG-PCLIKHOPSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.15726 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.16454 205.8
[M+Na]+ 468.14648 220.4
[M+NH4]+ 463.19108 211.8
[M+K]+ 484.12042 211.1
[M-H]- 444.14998 213.2
[M+Na-2H]- 466.13193 216.7
[M]+ 445.15671 210.4
[M]- 445.15781 210.4
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.