CID 118001
27468-67-3
Structural Information
- Molecular Formula
- C27H40N2O6
- SMILES
- CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=CC(=C(C(=C2)OC)OC)OC
- InChI
- InChI=1S/C27H40N2O6/c1-7-10-17-34-22-11-13-23(14-12-22)35-20-26(30)29(16-15-28(8-2)9-3)21-18-24(31-4)27(33-6)25(19-21)32-5/h11-14,18-19H,7-10,15-17,20H2,1-6H3
- InChIKey
- SMNJTKMBQYEZEV-UHFFFAOYSA-N
- Compound name
- 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 489.29592 | 223.8 |
[M+Na]+ | 511.27786 | 225.8 |
[M-H]- | 487.28136 | 231.7 |
[M+NH4]+ | 506.32246 | 231.6 |
[M+K]+ | 527.25180 | 226.1 |
[M+H-H2O]+ | 471.28590 | 212.3 |
[M+HCOO]- | 533.28684 | 246.9 |
[M+CH3COO]- | 547.30249 | 253.4 |
[M+Na-2H]- | 509.26331 | 220.7 |
[M]+ | 488.28809 | 237.0 |
[M]- | 488.28919 | 237.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.