CID 24208903

624724-79-4

Structural Information

Molecular Formula
C18H19N5OS2
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=C(C=C3)SC
InChI
InChI=1S/C18H19N5OS2/c1-3-24-15-8-6-14(7-9-15)17-20-21-18(25)23(17)22-19-12-13-4-10-16(26-2)11-5-13/h4-12,22H,3H2,1-2H3,(H,21,25)/b19-12+
InChIKey
XEHPOVVSCXDNQU-XDHOZWIPSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1031 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11038 186.2
[M+Na]+ 408.09232 196.0
[M-H]- 384.09582 192.6
[M+NH4]+ 403.13692 196.5
[M+K]+ 424.06626 186.7
[M+H-H2O]+ 368.10036 177.1
[M+HCOO]- 430.10130 199.9
[M+CH3COO]- 444.11695 195.7
[M+Na-2H]- 406.07777 186.3
[M]+ 385.10255 189.7
[M]- 385.10365 189.7
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.