CID 135678941

624725-63-9

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C(=CC=C3)OC)O
InChI
InChI=1S/C18H19N5O3S/c1-3-26-14-9-7-12(8-10-14)17-20-21-18(27)23(17)22-19-11-13-5-4-6-15(25-2)16(13)24/h4-11,22,24H,3H2,1-2H3,(H,21,27)/b19-11+
InChIKey
LTLALMHAKOLGCM-YBFXNURJSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12813 188.6
[M+Na]+ 408.11007 197.5
[M-H]- 384.11357 194.4
[M+NH4]+ 403.15467 197.6
[M+K]+ 424.08401 190.3
[M+H-H2O]+ 368.11811 178.7
[M+HCOO]- 430.11905 206.3
[M+CH3COO]- 444.13470 219.3
[M+Na-2H]- 406.09552 189.4
[M]+ 385.12030 192.5
[M]- 385.12140 192.5
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.