CID 2001317
3-(3,4-dimethoxyphenyl)-5-((3-methoxybenzyl)thio)-4h-1,2,4-triazol-4-amine
Structural Information
- Molecular Formula
- C18H20N4O3S
- SMILES
- COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)OC)OC
- InChI
- InChI=1S/C18H20N4O3S/c1-23-14-6-4-5-12(9-14)11-26-18-21-20-17(22(18)19)13-7-8-15(24-2)16(10-13)25-3/h4-10H,11,19H2,1-3H3
- InChIKey
- UBHFHCKMFNGIBD-UHFFFAOYSA-N
- Compound name
- 3-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 373.13288 | 188.0 |
[M+Na]+ | 395.11482 | 201.7 |
[M+NH4]+ | 390.15942 | 194.2 |
[M+K]+ | 411.08876 | 194.8 |
[M-H]- | 371.11832 | 192.5 |
[M+Na-2H]- | 393.10027 | 195.5 |
[M]+ | 372.12505 | 191.6 |
[M]- | 372.12615 | 191.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.