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 188.6
[M+Na]+ 388.15664 197.3
[M-H]- 364.16014 196.5
[M+NH4]+ 383.20124 199.9
[M+K]+ 404.13058 189.9
[M+H-H2O]+ 348.16468 178.0
[M+HCOO]- 410.16562 207.1
[M+CH3COO]- 424.18127 198.6
[M+Na-2H]- 386.14209 188.1
[M]+ 365.16687 191.8
[M]- 365.16797 191.8
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.