CID 5102245
540498-59-7
Structural Information
- Molecular Formula
- C26H26ClN5OS
- SMILES
- CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC4=CC(=CC=C4)Cl
- InChI
- InChI=1S/C26H26ClN5OS/c1-17-8-11-21(12-9-17)29-25(33)16-34-26-31-30-24(15-28-22-6-4-5-20(27)14-22)32(26)23-13-18(2)7-10-19(23)3/h4-14,28H,15-16H2,1-3H3,(H,29,33)
- InChIKey
- ZSMGQPBGWXPNIE-UHFFFAOYSA-N
- Compound name
- 2-[[5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 492.16194 | 220.4 |
[M+Na]+ | 514.14388 | 236.2 |
[M+NH4]+ | 509.18848 | 227.1 |
[M+K]+ | 530.11782 | 226.2 |
[M-H]- | 490.14738 | 228.5 |
[M+Na-2H]- | 512.12933 | 230.4 |
[M]+ | 491.15411 | 225.8 |
[M]- | 491.15521 | 225.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.