CID 135630457

478256-49-4

Structural Information

Molecular Formula
C17H16N4O3S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=C(C(=CC=C3)OC)O
InChI
InChI=1S/C17H16N4O3S/c1-23-13-8-4-3-7-12(13)16-19-20-17(25)21(16)18-10-11-6-5-9-14(24-2)15(11)22/h3-10,22H,1-2H3,(H,20,25)/b18-10+
InChIKey
AIMAYCCNZFXPDL-VCHYOVAHSA-N
Compound name
4-[(E)-(2-hydroxy-3-methoxyphenyl)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

356.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.101576 182.0
[M+Na]+ 379.083518 192.4
[M-H]- 355.087024 188.1
[M+NH4]+ 374.128123 192.6
[M+K]+ 395.057458 185.5
[M+H-H2O]+ 339.091560 172.7
[M+HCOO]- 401.092501 199.1
[M+CH3COO]- 415.108151 192.4
[M+Na-2H]- 377.068966 182.2
[M]+ 356.09375142 186.3
[M]- 356.09484858 186.3
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.