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 177.7
[M+Na]+ 359.13009 186.4
[M-H]- 335.13359 184.3
[M+NH4]+ 354.17469 190.4
[M+K]+ 375.10403 177.9
[M+H-H2O]+ 319.13813 167.8
[M+HCOO]- 381.13907 192.3
[M+CH3COO]- 395.15472 187.5
[M+Na-2H]- 357.11554 179.5
[M]+ 336.14032 175.8
[M]- 336.14142 175.8
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.