CID 44123781
Ku-32
Structural Information
- Molecular Formula
- C20H25NO8
- SMILES
- CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)C)O[C@H]3[C@@H]([C@@H]([C@H](C(O3)(C)C)OC)O)O
- InChI
- InChI=1S/C20H25NO8/c1-9-13(27-19-15(24)14(23)17(26-5)20(3,4)29-19)7-6-11-8-12(21-10(2)22)18(25)28-16(9)11/h6-8,14-15,17,19,23-24H,1-5H3,(H,21,22)/t14-,15+,17+,19+/m0/s1
- InChIKey
- KJAWXHNSLFJNTM-BUIAKZPTSA-N
- Compound name
- N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 408.16530 | 193.5 |
[M+Na]+ | 430.14724 | 201.5 |
[M-H]- | 406.15074 | 200.6 |
[M+NH4]+ | 425.19184 | 203.5 |
[M+K]+ | 446.12118 | 202.5 |
[M+H-H2O]+ | 390.15528 | 185.9 |
[M+HCOO]- | 452.15622 | 207.7 |
[M+CH3COO]- | 466.17187 | 226.7 |
[M+Na-2H]- | 428.13269 | 195.3 |
[M]+ | 407.15747 | 199.4 |
[M]- | 407.15857 | 199.4 |