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 169.5
[M+Na]+ 339.05224 181.9
[M-H]- 315.05574 177.5
[M+NH4]+ 334.09684 182.6
[M+K]+ 355.02618 177.0
[M+H-H2O]+ 299.06028 161.9
[M+HCOO]- 361.06122 189.4
[M+CH3COO]- 375.07687 182.1
[M+Na-2H]- 337.03769 170.3
[M]+ 316.06247 175.5
[M]- 316.06357 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.