CID 6918053
Am 682
Structural Information
- Molecular Formula
- C20H20N2O6
- SMILES
- CCC(=O)NC1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C20H20N2O6/c1-3-17(23)21-14-9-10-15(20(27)28-4-2)16(11-14)22-18(24)12-5-7-13(8-6-12)19(25)26/h5-11H,3-4H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
- InChIKey
- BUBVVEAEAWHBBD-UHFFFAOYSA-N
- Compound name
- 4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.13942 | 188.9 |
[M+Na]+ | 407.12136 | 192.6 |
[M-H]- | 383.12486 | 194.0 |
[M+NH4]+ | 402.16596 | 198.5 |
[M+K]+ | 423.09530 | 190.8 |
[M+H-H2O]+ | 367.12940 | 179.9 |
[M+HCOO]- | 429.13034 | 209.6 |
[M+CH3COO]- | 443.14599 | 222.9 |
[M+Na-2H]- | 405.10681 | 187.6 |
[M]+ | 384.13159 | 190.9 |
[M]- | 384.13269 | 190.9 |
Literature stripe
No literature data available for this compound.