CID 6860809

478253-66-6

Structural Information

Molecular Formula
C19H20N4S
SMILES
C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H20N4S/c24-19-22-21-18(15-8-2-1-3-9-15)23(19)20-13-16-11-6-10-14-7-4-5-12-17(14)16/h4-7,10-13,15H,1-3,8-9H2,(H,22,24)/b20-13+
InChIKey
WTNOMLFKTQRQHC-DEDYPNTBSA-N
Compound name
3-cyclohexyl-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

336.14087 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14815 176.9
[M+Na]+ 359.13009 191.8
[M+NH4]+ 354.17469 185.5
[M+K]+ 375.10403 182.1
[M-H]- 335.13359 183.1
[M+Na-2H]- 357.11554 186.0
[M]+ 336.14032 181.2
[M]- 336.14142 181.2
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.