CID 1887496
2-ethoxy-4-[(e)-(6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)methyl]phenyl acetate
Structural Information
- Molecular Formula
- C24H23N3O5S
- SMILES
- CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C=C4)OC(=O)C)OCC)/SC3=N2
- InChI
- InChI=1S/C24H23N3O5S/c1-4-12-31-18-9-7-17(8-10-18)22-25-24-27(26-22)23(29)21(33-24)14-16-6-11-19(32-15(3)28)20(13-16)30-5-2/h6-11,13-14H,4-5,12H2,1-3H3/b21-14+
- InChIKey
- DFMQUKAKEIFPAK-KGENOOAVSA-N
- Compound name
- [2-ethoxy-4-[(E)-[6-oxo-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 466.14311 | 212.4 |
[M+Na]+ | 488.12505 | 223.2 |
[M-H]- | 464.12855 | 221.4 |
[M+NH4]+ | 483.16965 | 222.3 |
[M+K]+ | 504.09899 | 217.6 |
[M+H-H2O]+ | 448.13309 | 203.6 |
[M+HCOO]- | 510.13403 | 229.2 |
[M+CH3COO]- | 524.14968 | 231.0 |
[M+Na-2H]- | 486.11050 | 208.5 |
[M]+ | 465.13528 | 224.5 |
[M]- | 465.13638 | 224.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.