CID 2060044
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Structural Information
- Molecular Formula
- C30H23ClN4O3S
- SMILES
- CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C6=CC=C(C=C6)Cl
- InChI
- InChI=1S/C30H23ClN4O3S/c1-18-7-13-21(14-8-18)35-29(19-9-11-20(31)12-10-19)33-34-30(35)39-17-28(36)32-24-16-26-23(15-27(24)37-2)22-5-3-4-6-25(22)38-26/h3-16H,17H2,1-2H3,(H,32,36)
- InChIKey
- MAELQKOLVOLANT-UHFFFAOYSA-N
- Compound name
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 555.12518 | 233.6 |
[M+Na]+ | 577.10712 | 245.8 |
[M-H]- | 553.11062 | 247.1 |
[M+NH4]+ | 572.15172 | 239.9 |
[M+K]+ | 593.08106 | 238.6 |
[M+H-H2O]+ | 537.11516 | 223.8 |
[M+HCOO]- | 599.11610 | 245.3 |
[M+CH3COO]- | 613.13175 | 242.2 |
[M+Na-2H]- | 575.09257 | 232.0 |
[M]+ | 554.11735 | 246.3 |
[M]- | 554.11845 | 246.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.