CID 3051154
Brn 2682069
Structural Information
- Molecular Formula
- C27H39NO5
- SMILES
- CCCC(CCCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
- InChI
- InChI=1S/C27H39NO5/c1-6-12-23(15-11-17-28(7-2)18-16-21-13-9-8-10-14-21)33-27(29)22-19-24(30-3)26(32-5)25(20-22)31-4/h8-10,13-14,19-20,23H,6-7,11-12,15-18H2,1-5H3
- InChIKey
- MDAPNGGODHVZQF-UHFFFAOYSA-N
- Compound name
- 1-[ethyl(2-phenylethyl)amino]heptan-4-yl 3,4,5-trimethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.29012 | 217.9 |
[M+Na]+ | 480.27206 | 219.8 |
[M-H]- | 456.27556 | 224.2 |
[M+NH4]+ | 475.31666 | 226.5 |
[M+K]+ | 496.24600 | 218.2 |
[M+H-H2O]+ | 440.28010 | 207.1 |
[M+HCOO]- | 502.28104 | 238.4 |
[M+CH3COO]- | 516.29669 | 242.6 |
[M+Na-2H]- | 478.25751 | 214.2 |
[M]+ | 457.28229 | 228.2 |
[M]- | 457.28339 | 228.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.