CID 57131
Af 521
Structural Information
- Molecular Formula
- C13H17N3O
- SMILES
- CCN(CC)CC1=NC(=NO1)C2=CC=CC=C2
- InChI
- InChI=1S/C13H17N3O/c1-3-16(4-2)10-12-14-13(15-17-12)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
- InChIKey
- WBUNNBSMSHEHOH-UHFFFAOYSA-N
- Compound name
- N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 232.14444 | 153.1 |
[M+Na]+ | 254.12638 | 160.4 |
[M-H]- | 230.12988 | 159.1 |
[M+NH4]+ | 249.17098 | 169.1 |
[M+K]+ | 270.10032 | 159.4 |
[M+H-H2O]+ | 214.13442 | 144.0 |
[M+HCOO]- | 276.13536 | 176.8 |
[M+CH3COO]- | 290.15101 | 195.7 |
[M+Na-2H]- | 252.11183 | 158.8 |
[M]+ | 231.13661 | 156.6 |
[M]- | 231.13771 | 156.6 |
Literature stripe
No literature data available for this compound.