CID 5273039
Chembl28610
Structural Information
- Molecular Formula
- C18H21N3O4
- SMILES
- CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)OC
- InChI
- InChI=1S/C18H21N3O4/c1-11-8-14(17-19-18(22-4)25-21-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3
- InChIKey
- DDPAQYNSDSJGLU-UHFFFAOYSA-N
- Compound name
- 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-methoxy-1,2,4-oxadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.16048 | 179.5 |
[M+Na]+ | 366.14242 | 190.7 |
[M-H]- | 342.14592 | 188.4 |
[M+NH4]+ | 361.18702 | 190.3 |
[M+K]+ | 382.11636 | 189.2 |
[M+H-H2O]+ | 326.15046 | 170.6 |
[M+HCOO]- | 388.15140 | 201.6 |
[M+CH3COO]- | 402.16705 | 211.9 |
[M+Na-2H]- | 364.12787 | 180.4 |
[M]+ | 343.15265 | 190.6 |
[M]- | 343.15375 | 190.6 |