CID 135630460

478256-42-7

Structural Information

Molecular Formula
C18H18N4O3S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C18H18N4O3S/c1-11-5-4-6-13(7-11)17-20-21-18(26)22(17)19-10-12-8-14(24-2)16(23)15(9-12)25-3/h4-10,23H,1-3H3,(H,21,26)/b19-10+
InChIKey
OVNRJZBRKNJVKV-VXLYETTFSA-N
Compound name
4-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)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

370.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11723 186.9
[M+Na]+ 393.09917 197.7
[M-H]- 369.10267 193.2
[M+NH4]+ 388.14377 197.2
[M+K]+ 409.07311 190.5
[M+H-H2O]+ 353.10721 177.6
[M+HCOO]- 415.10815 203.6
[M+CH3COO]- 429.12380 215.3
[M+Na-2H]- 391.08462 185.8
[M]+ 370.10940 191.9
[M]- 370.11050 191.9
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.