CID 135687117
6-hexyl-4-hydroxy-3-(4-nitrobenzoyl)-2(1h)-quinolinone
Structural Information
- Molecular Formula
- C22H22N2O5
- SMILES
- CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C22H22N2O5/c1-2-3-4-5-6-14-7-12-18-17(13-14)21(26)19(22(27)23-18)20(25)15-8-10-16(11-9-15)24(28)29/h7-13H,2-6H2,1H3,(H2,23,26,27)
- InChIKey
- KVNXPCDYPJJVKN-UHFFFAOYSA-N
- Compound name
- 6-hexyl-4-hydroxy-3-(4-nitrobenzoyl)-1H-quinolin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.16014 | 193.4 |
[M+Na]+ | 417.14208 | 198.8 |
[M-H]- | 393.14558 | 196.9 |
[M+NH4]+ | 412.18668 | 201.7 |
[M+K]+ | 433.11602 | 188.6 |
[M+H-H2O]+ | 377.15012 | 188.3 |
[M+HCOO]- | 439.15106 | 210.9 |
[M+CH3COO]- | 453.16671 | 214.1 |
[M+Na-2H]- | 415.12753 | 196.6 |
[M]+ | 394.15231 | 193.3 |
[M]- | 394.15341 | 193.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.