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]+ 385.132876 191.2
[M+Na]+ 407.114818 202.0
[M-H]- 383.118324 198.7
[M+NH4]+ 402.159423 201.6
[M+K]+ 423.088758 195.4
[M+H-H2O]+ 367.122860 181.4
[M+HCOO]- 429.123801 209.0
[M+CH3COO]- 443.139451 220.5
[M+Na-2H]- 405.100266 190.0
[M]+ 384.12505142 198.3
[M]- 384.12614858 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.