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 188.4
[M+Na]+ 391.11992 202.8
[M+NH4]+ 386.16452 194.7
[M+K]+ 407.09386 194.7
[M-H]- 367.12342 193.0
[M+Na-2H]- 389.10537 196.3
[M]+ 368.13015 192.2
[M]- 368.13125 192.2
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.