CID 24208898

765299-37-4

Structural Information

Molecular Formula
C18H18N4OS2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)SC
InChI
InChI=1S/C18H18N4OS2/c1-3-23-15-6-4-5-14(11-15)17-20-21-18(24)22(17)19-12-13-7-9-16(25-2)10-8-13/h4-12H,3H2,1-2H3,(H,21,24)/b19-12+
InChIKey
JXFOSYOWWODGEC-XDHOZWIPSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0922 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09948 184.0
[M+Na]+ 393.08142 198.0
[M+NH4]+ 388.12602 191.2
[M+K]+ 409.05536 187.5
[M-H]- 369.08492 189.2
[M+Na-2H]- 391.06687 191.9
[M]+ 370.09165 188.4
[M]- 370.09275 188.4
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.