CID 135630597

478257-11-3

Structural Information

Molecular Formula
C18H18N4O3S
SMILES
CCOC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC)O
InChI
InChI=1S/C18H18N4O3S/c1-3-25-16-10-12(8-9-14(16)23)11-19-22-17(20-21-18(22)26)13-6-4-5-7-15(13)24-2/h4-11,23H,3H2,1-2H3,(H,21,26)/b19-11+
InChIKey
QMGYSGGJWGSNLC-YBFXNURJSA-N
Compound name
4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.117226 186.1
[M+Na]+ 393.099168 196.1
[M-H]- 369.102674 192.1
[M+NH4]+ 388.143773 196.1
[M+K]+ 409.073108 188.9
[M+H-H2O]+ 353.107210 176.6
[M+HCOO]- 415.108151 202.9
[M+CH3COO]- 429.123801 214.0
[M+Na-2H]- 391.084616 185.9
[M]+ 370.10940142 190.7
[M]- 370.11049858 190.7
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.