CID 3051947
Brn 1181733
Structural Information
- Molecular Formula
- C25H19N3OS2
- SMILES
- COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=CC=C5
- InChI
- InChI=1S/C25H19N3OS2/c1-29-21-13-9-19(10-14-21)24-27-22(15-30-24)18-7-11-20(12-8-18)26-25-28-23(16-31-25)17-5-3-2-4-6-17/h2-16H,1H3,(H,26,28)
- InChIKey
- QYCPUSIFGVNISX-UHFFFAOYSA-N
- Compound name
- N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 442.10423 | 201.4 |
[M+Na]+ | 464.08617 | 212.9 |
[M-H]- | 440.08967 | 216.2 |
[M+NH4]+ | 459.13077 | 212.5 |
[M+K]+ | 480.06011 | 204.1 |
[M+H-H2O]+ | 424.09421 | 193.0 |
[M+HCOO]- | 486.09515 | 218.3 |
[M+CH3COO]- | 500.11080 | 212.1 |
[M+Na-2H]- | 462.07162 | 200.2 |
[M]+ | 441.09640 | 206.7 |
[M]- | 441.09750 | 206.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.