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]+ 377.106676 187.8
[M+Na]+ 399.088618 199.7
[M-H]- 375.092124 195.0
[M+NH4]+ 394.133223 198.6
[M+K]+ 415.062558 190.8
[M+H-H2O]+ 359.096660 178.4
[M+HCOO]- 421.097601 205.0
[M+CH3COO]- 435.113251 198.2
[M+Na-2H]- 397.074066 190.6
[M]+ 376.09885142 192.1
[M]- 376.09994858 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.