CID 5127862
624726-49-4
Structural Information
- Molecular Formula
- C16H22N3O
- SMILES
- CCCCC1=CC=C(C=C1)NC(=O)CN2C=C[N+](=C2)C
- InChI
- InChI=1S/C16H21N3O/c1-3-4-5-14-6-8-15(9-7-14)17-16(20)12-19-11-10-18(2)13-19/h6-11,13H,3-5,12H2,1-2H3/p+1
- InChIKey
- RTLGSKXZBDMSAT-UHFFFAOYSA-O
- Compound name
- N-(4-butylphenyl)-2-(3-methylimidazol-3-ium-1-yl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 273.18358 | 167.2 |
[M+Na]+ | 295.16552 | 173.6 |
[M-H]- | 271.16902 | 171.4 |
[M+NH4]+ | 290.21012 | 182.0 |
[M+K]+ | 311.13946 | 164.0 |
[M+H-H2O]+ | 255.17356 | 160.7 |
[M+HCOO]- | 317.17450 | 189.1 |
[M+CH3COO]- | 331.19015 | 194.8 |
[M+Na-2H]- | 293.15097 | 171.9 |
[M]+ | 272.17575 | 167.5 |
[M]- | 272.17685 | 167.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.