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]+ 317.07030 170.8
[M+Na]+ 339.05224 184.1
[M+NH4]+ 334.09684 176.6
[M+K]+ 355.02618 180.3
[M-H]- 315.05574 175.2
[M+Na-2H]- 337.03769 177.5
[M]+ 316.06247 174.2
[M]- 316.06357 174.2
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.