CID 135651117

497823-88-8

Structural Information

Molecular Formula
C16H15N5O2S
SMILES
CCOC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)O
InChI
InChI=1S/C16H15N5O2S/c1-2-23-14-9-11(6-7-13(14)22)10-18-21-15(19-20-16(21)24)12-5-3-4-8-17-12/h3-10,22H,2H2,1H3,(H,20,24)/b18-10+
InChIKey
AIRMVKWKDYOSMK-VCHYOVAHSA-N
Compound name
4-[(E)-(3-ethoxy-4-hydroxyphenyl)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

341.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10192 178.2
[M+Na]+ 364.08386 188.7
[M-H]- 340.08736 182.8
[M+NH4]+ 359.12846 188.0
[M+K]+ 380.05780 180.9
[M+H-H2O]+ 324.09190 168.5
[M+HCOO]- 386.09284 194.3
[M+CH3COO]- 400.10849 188.3
[M+Na-2H]- 362.06931 179.4
[M]+ 341.09409 180.9
[M]- 341.09519 180.9
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.