CID 9658371

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

Structural Information

Molecular Formula
C16H17N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=C(O3)C
InChI
InChI=1S/C16H17N5O2S/c1-3-22-13-8-5-12(6-9-13)15-18-19-16(24)21(15)20-17-10-14-7-4-11(2)23-14/h4-10,20H,3H2,1-2H3,(H,19,24)/b17-10+
InChIKey
DLVGHQMBFRBZBQ-LICLKQGHSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11758 179.4
[M+Na]+ 366.09952 192.0
[M+NH4]+ 361.14412 185.3
[M+K]+ 382.07346 187.4
[M-H]- 342.10302 184.9
[M+Na-2H]- 364.08497 186.4
[M]+ 343.10975 183.0
[M]- 343.11085 183.0
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.