CID 5272623
2,4,6-trihydroxy-3-nitro-n-phenethyl-benzamide
Structural Information
- Molecular Formula
- C15H14N2O6
- SMILES
- C1=CC=C(C=C1)CCNC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O
- InChI
- InChI=1S/C15H14N2O6/c18-10-8-11(19)13(17(22)23)14(20)12(10)15(21)16-7-6-9-4-2-1-3-5-9/h1-5,8,18-20H,6-7H2,(H,16,21)
- InChIKey
- FSKDQUOPTMGCDZ-UHFFFAOYSA-N
- Compound name
- 2,4,6-trihydroxy-3-nitro-N-(2-phenylethyl)benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 319.09245 | 167.4 |
[M+Na]+ | 341.07439 | 172.5 |
[M-H]- | 317.07789 | 170.6 |
[M+NH4]+ | 336.11899 | 178.3 |
[M+K]+ | 357.04833 | 164.8 |
[M+H-H2O]+ | 301.08243 | 164.2 |
[M+HCOO]- | 363.08337 | 188.7 |
[M+CH3COO]- | 377.09902 | 196.3 |
[M+Na-2H]- | 339.05984 | 171.7 |
[M]+ | 318.08462 | 165.1 |
[M]- | 318.08572 | 165.1 |
Literature stripe
Patent stripe
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