CID 15955431
Schembl6816169
Structural Information
- Molecular Formula
- C23H20Cl2FN3O3S
- SMILES
- CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)Cl)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl
- InChI
- InChI=1S/C23H20Cl2FN3O3S/c1-12-8-18(14(24)9-17(12)27-22(30)13-6-4-5-7-16(13)26)28-23(33)29-19-10-15(25)20(31-2)11-21(19)32-3/h4-11H,1-3H3,(H,27,30)(H2,28,29,33)
- InChIKey
- UAKKCEKMYCLDHQ-UHFFFAOYSA-N
- Compound name
- N-[5-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methylphenyl]-2-fluorobenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 508.06593 | 214.8 |
[M+Na]+ | 530.04787 | 222.8 |
[M-H]- | 506.05137 | 223.1 |
[M+NH4]+ | 525.09247 | 223.0 |
[M+K]+ | 546.02181 | 215.2 |
[M+H-H2O]+ | 490.05591 | 206.2 |
[M+HCOO]- | 552.05685 | 223.7 |
[M+CH3COO]- | 566.07250 | 246.1 |
[M+Na-2H]- | 528.03332 | 211.8 |
[M]+ | 507.05810 | 221.9 |
[M]- | 507.05920 | 221.9 |
Literature stripe
No literature data available for this compound.