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]+ 351.09102 180.1
[M+Na]+ 373.07296 193.0
[M-H]- 349.07646 190.0
[M+NH4]+ 368.11756 193.4
[M+K]+ 389.04690 187.1
[M+H-H2O]+ 333.08100 172.1
[M+HCOO]- 395.08194 199.8
[M+CH3COO]- 409.09759 192.4
[M+Na-2H]- 371.05841 181.9
[M]+ 350.08319 186.9
[M]- 350.08429 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.