CID 16428324

478256-53-0

Structural Information

Molecular Formula
C20H16N4OS
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16N4OS/c1-25-18-12-5-4-11-17(18)19-22-23-20(26)24(19)21-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H,23,26)/b21-13+
InChIKey
RBSRVDNWIQUCJT-FYJGNVAPSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-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 184.4
[M+Na]+ 383.09372 196.2
[M-H]- 359.09722 192.5
[M+NH4]+ 378.13832 196.4
[M+K]+ 399.06766 187.4
[M+H-H2O]+ 343.10176 174.5
[M+HCOO]- 405.10270 202.9
[M+CH3COO]- 419.11835 195.4
[M+Na-2H]- 381.07917 187.9
[M]+ 360.10395 188.6
[M]- 360.10505 188.6
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.