CID 6861280

5-(2-furyl)-4-{[(e)-(2-methoxy-1-naphthyl)methylidene]amino}-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
COC1=C(C2=CC=CC=C2C=C1)/C=N/N3C(=NNC3=S)C4=CC=CO4
InChI
InChI=1S/C18H14N4O2S/c1-23-15-9-8-12-5-2-3-6-13(12)14(15)11-19-22-17(20-21-18(22)25)16-7-4-10-24-16/h2-11H,1H3,(H,21,25)/b19-11+
InChIKey
FSOWESJRUMDVEP-YBFXNURJSA-N
Compound name
3-(furan-2-yl)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.08374 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.091016 180.1
[M+Na]+ 373.072958 193.0
[M-H]- 349.076464 190.0
[M+NH4]+ 368.117563 193.4
[M+K]+ 389.046898 187.1
[M+H-H2O]+ 333.081000 172.1
[M+HCOO]- 395.081941 199.8
[M+CH3COO]- 409.097591 192.4
[M+Na-2H]- 371.058406 181.9
[M]+ 350.08319142 186.9
[M]- 350.08428858 186.9
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.