CID 1385917

2,4-dihydro-4-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-5-(2-methoxyphenyl)-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C17H16N4O3S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2N=CC3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C17H16N4O3S/c1-23-14-6-4-3-5-12(14)16-19-20-17(25)21(16)18-10-11-7-8-13(22)15(9-11)24-2/h3-10,22H,1-2H3,(H,20,25)
InChIKey
RJNCEUGUHMJTTO-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10158 182.0
[M+Na]+ 379.08352 192.4
[M-H]- 355.08702 188.1
[M+NH4]+ 374.12812 192.6
[M+K]+ 395.05746 185.5
[M+H-H2O]+ 339.09156 172.7
[M+HCOO]- 401.09250 199.1
[M+CH3COO]- 415.10815 192.4
[M+Na-2H]- 377.06897 182.2
[M]+ 356.09375 186.3
[M]- 356.09485 186.3
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.