CID 135632179

478253-69-9

Structural Information

Molecular Formula
C14H12N4O3S
SMILES
COC1=CC=CC(=C1O)/C=N/N2C(=NNC2=S)C3=CC=CO3
InChI
InChI=1S/C14H12N4O3S/c1-20-10-5-2-4-9(12(10)19)8-15-18-13(16-17-14(18)22)11-6-3-7-21-11/h2-8,19H,1H3,(H,17,22)/b15-8+
InChIKey
ANFCIYZZTVJVFJ-OVCLIPMQSA-N
Compound name
3-(furan-2-yl)-4-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06302 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.070296 169.5
[M+Na]+ 339.052238 181.9
[M-H]- 315.055744 177.5
[M+NH4]+ 334.096843 182.6
[M+K]+ 355.026178 177.0
[M+H-H2O]+ 299.060280 161.9
[M+HCOO]- 361.061221 189.4
[M+CH3COO]- 375.076871 182.1
[M+Na-2H]- 337.037686 170.3
[M]+ 316.06247142 175.5
[M]- 316.06356858 175.5
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.