CID 6880174
4-({(e)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-methylphenyl)-4h-1,2,4-triazole-3-thiol
Structural Information
- Molecular Formula
- C24H22N4O2S
- SMILES
- CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4
- InChI
- InChI=1S/C24H22N4O2S/c1-17-7-6-10-20(13-17)23-26-27-24(31)28(23)25-15-19-11-12-21(29-2)22(14-19)30-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,27,31)/b25-15+
- InChIKey
- NLZJLZCLMHGDIX-MFKUBSTISA-N
- Compound name
- 4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 431.15364 | 204.4 |
[M+Na]+ | 453.13558 | 213.7 |
[M-H]- | 429.13908 | 214.1 |
[M+NH4]+ | 448.18018 | 212.0 |
[M+K]+ | 469.10952 | 204.9 |
[M+H-H2O]+ | 413.14362 | 192.9 |
[M+HCOO]- | 475.14456 | 221.7 |
[M+CH3COO]- | 489.16021 | 213.4 |
[M+Na-2H]- | 451.12103 | 203.7 |
[M]+ | 430.14581 | 208.6 |
[M]- | 430.14691 | 208.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.