CID 6861340

478256-21-2

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C)OC
InChI
InChI=1S/C19H20N4O2S/c1-4-25-16-9-8-14(11-17(16)24-3)12-20-23-18(21-22-19(23)26)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3,(H,22,26)/b20-12+
InChIKey
AXTVPMPPLMESMI-UDWIEESQSA-N
Compound name
4-[(E)-(4-ethoxy-3-methoxyphenyl)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

368.1307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 187.7
[M+Na]+ 391.11992 198.0
[M-H]- 367.12342 194.8
[M+NH4]+ 386.16452 198.6
[M+K]+ 407.09386 190.8
[M+H-H2O]+ 351.12796 177.8
[M+HCOO]- 413.12890 205.4
[M+CH3COO]- 427.14455 217.0
[M+Na-2H]- 389.10537 187.0
[M]+ 368.13015 193.1
[M]- 368.13125 193.1
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.