CID 6879811

5-(3-methylphenyl)-4-{[(e)-(3,4,5-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=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H20N4O3S/c1-12-6-5-7-14(8-12)18-21-22-19(27)23(18)20-11-13-9-15(24-2)17(26-4)16(10-13)25-3/h5-11H,1-4H3,(H,22,27)/b20-11+
InChIKey
NWTIDBYWIDFOIV-RGVLZGJSSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(3,4,5-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 191.2
[M+Na]+ 407.11482 202.0
[M-H]- 383.11832 198.7
[M+NH4]+ 402.15942 201.6
[M+K]+ 423.08876 195.4
[M+H-H2O]+ 367.12286 181.4
[M+HCOO]- 429.12380 209.0
[M+CH3COO]- 443.13945 220.5
[M+Na-2H]- 405.10027 190.0
[M]+ 384.12505 198.3
[M]- 384.12615 198.3
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.