CID 3055623
72649-97-9
Structural Information
- Molecular Formula
- C14H19BrN2
- SMILES
- CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)Br)C
- InChI
- InChI=1S/C14H19BrN2/c1-8-10(3)14(15)11(4)9(2)12(8)7-13-16-5-6-17-13/h5-7H2,1-4H3,(H,16,17)
- InChIKey
- UOJQSBBFRLTLPY-UHFFFAOYSA-N
- Compound name
- 2-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.08043 | 162.7 |
[M+Na]+ | 317.06237 | 175.5 |
[M-H]- | 293.06587 | 168.8 |
[M+NH4]+ | 312.10697 | 181.5 |
[M+K]+ | 333.03631 | 162.4 |
[M+H-H2O]+ | 277.07041 | 161.7 |
[M+HCOO]- | 339.07135 | 180.1 |
[M+CH3COO]- | 353.08700 | 200.1 |
[M+Na-2H]- | 315.04782 | 164.3 |
[M]+ | 294.07260 | 181.0 |
[M]- | 294.07370 | 181.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.