CID 44571514
Chembl482353
Structural Information
- Molecular Formula
- C19H14O4
- SMILES
- C1=CC=C2C=C(C=CC2=C1)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
- InChI
- InChI=1S/C19H14O4/c20-17-9-5-13(11-18(17)21)6-10-19(22)23-16-8-7-14-3-1-2-4-15(14)12-16/h1-12,20-21H/b10-6+
- InChIKey
- GONMLSWFZFPACZ-UXBLZVDNSA-N
- Compound name
- naphthalen-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.09648 | 169.4 |
[M+Na]+ | 329.07842 | 177.0 |
[M-H]- | 305.08192 | 174.6 |
[M+NH4]+ | 324.12302 | 183.7 |
[M+K]+ | 345.05236 | 171.6 |
[M+H-H2O]+ | 289.08646 | 161.6 |
[M+HCOO]- | 351.08740 | 188.9 |
[M+CH3COO]- | 365.10305 | 199.7 |
[M+Na-2H]- | 327.06387 | 173.8 |
[M]+ | 306.08865 | 169.9 |
[M]- | 306.08975 | 169.9 |