CID 1570521
477331-57-0
Structural Information
- Molecular Formula
- C25H24ClN5OS
- SMILES
- CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C25H24ClN5OS/c1-17-4-12-22(13-5-17)31-24(18-6-8-19(26)9-7-18)28-29-25(31)33-16-23(32)27-20-10-14-21(15-11-20)30(2)3/h4-15H,16H2,1-3H3,(H,27,32)
- InChIKey
- GHASAROUJZWNEI-UHFFFAOYSA-N
- Compound name
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 478.14628 | 214.4 |
[M+Na]+ | 500.12822 | 222.6 |
[M-H]- | 476.13172 | 225.2 |
[M+NH4]+ | 495.17282 | 221.4 |
[M+K]+ | 516.10216 | 214.5 |
[M+H-H2O]+ | 460.13626 | 203.0 |
[M+HCOO]- | 522.13720 | 226.8 |
[M+CH3COO]- | 536.15285 | 222.7 |
[M+Na-2H]- | 498.11367 | 212.3 |
[M]+ | 477.13845 | 220.9 |
[M]- | 477.13955 | 220.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.