CID 135525416
5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
Structural Information
- Molecular Formula
- C23H24ClN3O5
- SMILES
- CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)Cl
- InChI
- InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
- InChIKey
- APGOABVITLQCKW-UHFFFAOYSA-N
- Compound name
- 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.14772 | 210.6 |
[M+Na]+ | 480.12966 | 216.4 |
[M-H]- | 456.13316 | 219.6 |
[M+NH4]+ | 475.17426 | 214.3 |
[M+K]+ | 496.10360 | 212.2 |
[M+H-H2O]+ | 440.13770 | 200.3 |
[M+HCOO]- | 502.13864 | 219.7 |
[M+CH3COO]- | 516.15429 | 217.8 |
[M+Na-2H]- | 478.11511 | 207.8 |
[M]+ | 457.13989 | 212.5 |
[M]- | 457.14099 | 212.5 |