CID 6859575

497823-64-0

Structural Information

Molecular Formula
C17H17N5O3S
SMILES
COC1=C(C(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)OC)OC
InChI
InChI=1S/C17H17N5O3S/c1-23-13-8-7-11(14(24-2)15(13)25-3)10-19-22-16(20-21-17(22)26)12-6-4-5-9-18-12/h4-10H,1-3H3,(H,21,26)/b19-10+
InChIKey
GMIZYBWAXVWLQI-VXLYETTFSA-N
Compound name
3-pyridin-2-yl-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.10522 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11250 186.9
[M+Na]+ 394.09444 200.9
[M+NH4]+ 389.13904 192.0
[M+K]+ 410.06838 194.1
[M-H]- 370.09794 190.3
[M+Na-2H]- 392.07989 194.3
[M]+ 371.10467 190.1
[M]- 371.10577 190.1
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.