CID 2060873
331462-22-7
Structural Information
- Molecular Formula
- C17H16BrNO
- SMILES
- CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)Br)C
- InChI
- InChI=1S/C17H16BrNO/c1-12-6-8-16(10-13(12)2)19-17(20)9-7-14-4-3-5-15(18)11-14/h3-11H,1-2H3,(H,19,20)/b9-7+
- InChIKey
- VLOXDSCDAGPNNH-VQHVLOKHSA-N
- Compound name
- (E)-3-(3-bromophenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.04881 | 169.3 |
[M+Na]+ | 352.03075 | 179.6 |
[M-H]- | 328.03425 | 178.4 |
[M+NH4]+ | 347.07535 | 187.0 |
[M+K]+ | 368.00469 | 166.4 |
[M+H-H2O]+ | 312.03879 | 167.6 |
[M+HCOO]- | 374.03973 | 190.6 |
[M+CH3COO]- | 388.05538 | 208.0 |
[M+Na-2H]- | 350.01620 | 173.5 |
[M]+ | 329.04098 | 187.6 |
[M]- | 329.04208 | 187.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.