CID 135630533

478256-04-1

Structural Information

Molecular Formula
C20H16N4OS
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H16N4OS/c1-13-5-4-7-15(11-13)19-22-23-20(26)24(19)21-12-17-16-8-3-2-6-14(16)9-10-18(17)25/h2-12,25H,1H3,(H,23,26)/b21-12+
InChIKey
UIVSZPSLILRLGV-CIAFOILYSA-N
Compound name
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11178 184.1
[M+Na]+ 383.09372 201.1
[M+NH4]+ 378.13832 191.8
[M+K]+ 399.06766 191.8
[M-H]- 359.09722 190.1
[M+Na-2H]- 381.07917 193.9
[M]+ 360.10395 188.8
[M]- 360.10505 188.8
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.