CID 135613252

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

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C18H19N5O3S/c1-3-26-14-7-5-13(6-8-14)17-20-21-18(27)23(17)22-19-11-12-4-9-15(24)16(10-12)25-2/h4-11,22,24H,3H2,1-2H3,(H,21,27)/b19-11+
InChIKey
VHTKKEKVJMSLJK-YBFXNURJSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12813 190.3
[M+Na]+ 408.11007 202.4
[M+NH4]+ 403.15467 195.2
[M+K]+ 424.08401 196.0
[M-H]- 384.11357 194.2
[M+Na-2H]- 406.09552 197.3
[M]+ 385.12030 193.3
[M]- 385.12140 193.3
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.