CID 6878570

5-(3-methylphenyl)-4-{[(e)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4h-1,2,4-triazol-3-yl hydrosulfide

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C19H20N4O3S/c1-12-6-5-7-13(10-12)18-21-22-19(27)23(18)20-11-14-8-9-15(24-2)17(26-4)16(14)25-3/h5-11H,1-4H3,(H,22,27)/b20-11+
InChIKey
YMEXUMROPLLLKA-RGVLZGJSSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13288 192.6
[M+Na]+ 407.11482 206.8
[M+NH4]+ 402.15942 198.3
[M+K]+ 423.08876 199.4
[M-H]- 383.11832 196.8
[M+Na-2H]- 405.10027 199.7
[M]+ 384.12505 196.2
[M]- 384.12615 196.2
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.