CID 9570019
Nsc632134
Structural Information
- Molecular Formula
- C20H17ClN4O4S
- SMILES
- CN1C2=C(C=C(C(=C2)Cl)C3=CSC(=N3)N/N=C/C4=CC(=C(C=C4)OC)OC)OC1=O
- InChI
- InChI=1S/C20H17ClN4O4S/c1-25-15-8-13(21)12(7-17(15)29-20(25)26)14-10-30-19(23-14)24-22-9-11-4-5-16(27-2)18(6-11)28-3/h4-10H,1-3H3,(H,23,24)/b22-9+
- InChIKey
- NMZCVFJKRYFQSK-LSFURLLWSA-N
- Compound name
- 5-chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 445.07320 | 205.2 |
[M+Na]+ | 467.05514 | 218.6 |
[M-H]- | 443.05864 | 218.1 |
[M+NH4]+ | 462.09974 | 217.6 |
[M+K]+ | 483.02908 | 213.6 |
[M+H-H2O]+ | 427.06318 | 197.5 |
[M+HCOO]- | 489.06412 | 223.2 |
[M+CH3COO]- | 503.07977 | 217.2 |
[M+Na-2H]- | 465.04059 | 205.3 |
[M]+ | 444.06537 | 219.2 |
[M]- | 444.06647 | 219.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.