CID 3050342
Brn 5161694
Structural Information
- Molecular Formula
- C20H29N3O5
- SMILES
- CNC(=O)NC1=C(C2=C(C(=C1OCCNC3CCCCC3)OC)OC=C2)OC
- InChI
- InChI=1S/C20H29N3O5/c1-21-20(24)23-15-16(25-2)14-9-11-27-17(14)19(26-3)18(15)28-12-10-22-13-7-5-4-6-8-13/h9,11,13,22H,4-8,10,12H2,1-3H3,(H2,21,23,24)
- InChIKey
- RGQNZHAGFVRYMC-UHFFFAOYSA-N
- Compound name
- 1-[6-[2-(cyclohexylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 392.21800 | 190.8 |
[M+Na]+ | 414.19994 | 194.2 |
[M-H]- | 390.20344 | 198.4 |
[M+NH4]+ | 409.24454 | 202.6 |
[M+K]+ | 430.17388 | 193.2 |
[M+H-H2O]+ | 374.20798 | 182.0 |
[M+HCOO]- | 436.20892 | 212.9 |
[M+CH3COO]- | 450.22457 | 228.1 |
[M+Na-2H]- | 412.18539 | 193.2 |
[M]+ | 391.21017 | 194.4 |
[M]- | 391.21127 | 194.4 |
Literature stripe
Patent stripe
No patent data available for this compound.