CID 135704707

478257-01-1

Structural Information

Molecular Formula
C20H16N4O2S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H16N4O2S/c1-26-18-9-5-4-8-15(18)19-22-23-20(27)24(19)21-12-16-14-7-3-2-6-13(14)10-11-17(16)25/h2-12,25H,1H3,(H,23,27)/b21-12+
InChIKey
JUZSXCUDTUKBBB-CIAFOILYSA-N
Compound name
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0994 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10668 187.8
[M+Na]+ 399.08862 199.7
[M-H]- 375.09212 195.0
[M+NH4]+ 394.13322 198.6
[M+K]+ 415.06256 190.8
[M+H-H2O]+ 359.09666 178.4
[M+HCOO]- 421.09760 205.0
[M+CH3COO]- 435.11325 198.2
[M+Na-2H]- 397.07407 190.6
[M]+ 376.09885 192.1
[M]- 376.09995 192.1
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.