CID 11971112
1-pyrrolidineethanimidamide, n-(2-(3,4-dimethoxyphenyl)ethyl)-2-oxo-, monohydrochloride
Structural Information
- Molecular Formula
- C16H23N3O3
- SMILES
- COC1=C(C=C(C=C1)CCN=C(CN2CCCC2=O)N)OC
- InChI
- InChI=1S/C16H23N3O3/c1-21-13-6-5-12(10-14(13)22-2)7-8-18-15(17)11-19-9-3-4-16(19)20/h5-6,10H,3-4,7-9,11H2,1-2H3,(H2,17,18)
- InChIKey
- QUYYAERPHZUPMM-UHFFFAOYSA-N
- Compound name
- N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)ethanimidamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 306.18123 | 172.1 |
[M+Na]+ | 328.16317 | 177.1 |
[M-H]- | 304.16667 | 177.9 |
[M+NH4]+ | 323.20777 | 187.2 |
[M+K]+ | 344.13711 | 174.7 |
[M+H-H2O]+ | 288.17121 | 163.2 |
[M+HCOO]- | 350.17215 | 195.3 |
[M+CH3COO]- | 364.18780 | 211.4 |
[M+Na-2H]- | 326.14862 | 171.9 |
[M]+ | 305.17340 | 173.1 |
[M]- | 305.17450 | 173.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.