CID 6878866

478256-08-5

Structural Information

Molecular Formula
C20H23N5S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C
InChI
InChI=1S/C20H23N5S/c1-4-24(5-2)18-11-9-16(10-12-18)14-21-25-19(22-23-20(25)26)17-8-6-7-15(3)13-17/h6-14H,4-5H2,1-3H3,(H,23,26)/b21-14+
InChIKey
QJXWVNACNMBCEE-KGENOOAVSA-N
Compound name
4-[(E)-[4-(diethylamino)phenyl]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

365.16742 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17470 187.8
[M+Na]+ 388.15664 201.5
[M+NH4]+ 383.20124 194.8
[M+K]+ 404.13058 192.9
[M-H]- 364.16014 193.8
[M+Na-2H]- 386.14209 196.8
[M]+ 365.16687 191.9
[M]- 365.16797 191.9
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.