CID 6879982

613248-41-2

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)OC
InChI
InChI=1S/C17H17N5O2S/c1-3-24-14-8-7-12(10-15(14)23-2)11-19-22-16(20-21-17(22)25)13-6-4-5-9-18-13/h4-11H,3H2,1-2H3,(H,21,25)/b19-11+
InChIKey
LSIXSRZZYQZBEP-YBFXNURJSA-N
Compound name
4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11758 182.6
[M+Na]+ 378.09952 196.8
[M+NH4]+ 373.14412 188.4
[M+K]+ 394.07346 189.3
[M-H]- 354.10302 186.4
[M+Na-2H]- 376.08497 190.8
[M]+ 355.10975 186.0
[M]- 355.11085 186.0
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.