CID 5328779
133550-30-8
Structural Information
- Molecular Formula
- C17H14N2O3
- SMILES
- C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
- InChI
- InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
- InChIKey
- TUCIOBMMDDOEMM-RIYZIHGNSA-N
- Compound name
- (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.10771 | 176.1 |
[M+Na]+ | 317.08965 | 183.8 |
[M-H]- | 293.09315 | 178.8 |
[M+NH4]+ | 312.13425 | 187.8 |
[M+K]+ | 333.06359 | 177.7 |
[M+H-H2O]+ | 277.09769 | 162.1 |
[M+HCOO]- | 339.09863 | 192.8 |
[M+CH3COO]- | 353.11428 | 210.0 |
[M+Na-2H]- | 315.07510 | 177.0 |
[M]+ | 294.09988 | 168.7 |
[M]- | 294.10098 | 168.7 |