CID 86542
17304-65-3
Structural Information
- Molecular Formula
- C41H53N3O8
- SMILES
- CCCCCCCCCCCCC1=CC=C(C=C1)N(C(CC(=O)NC2=CC(=C(C=C2)OC)NC(=O)CC(=O)C3=CC=C(C=C3)OC)C(=O)O)C(=O)C
- InChI
- InChI=1S/C41H53N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-30-16-21-33(22-17-30)44(29(2)45)36(41(49)50)27-39(47)42-32-20-25-38(52-4)35(26-32)43-40(48)28-37(46)31-18-23-34(51-3)24-19-31/h16-26,36H,5-15,27-28H2,1-4H3,(H,42,47)(H,43,48)(H,49,50)
- InChIKey
- JNRIODYOJBONQO-UHFFFAOYSA-N
- Compound name
- 2-(N-acetyl-4-dodecylanilino)-4-[4-methoxy-3-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]anilino]-4-oxobutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 716.39052 | 278.1 |
[M+Na]+ | 738.37246 | 272.0 |
[M-H]- | 714.37596 | 283.9 |
[M+NH4]+ | 733.41706 | 257.9 |
[M+K]+ | 754.34640 | 271.6 |
[M+H-H2O]+ | 698.38050 | 264.4 |
[M+HCOO]- | 760.38144 | 292.3 |
[M+CH3COO]- | 774.39709 | 293.2 |
[M+Na-2H]- | 736.35791 | 267.3 |
[M]+ | 715.38269 | 285.7 |
[M]- | 715.38379 | 285.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.