CID 297078
102395-59-5
Structural Information
- Molecular Formula
- C24H29N3O4
- SMILES
- CCOC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
- InChI
- InChI=1S/C24H29N3O4/c1-2-29-20-9-6-10-21-22(20)31-19(16-30-21)15-26-13-11-24(12-14-26)23(28)25-17-27(24)18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3,(H,25,28)
- InChIKey
- SGYOPRMRWBLBLQ-UHFFFAOYSA-N
- Compound name
- 8-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 424.22310 | 203.8 |
[M+Na]+ | 446.20504 | 207.7 |
[M-H]- | 422.20854 | 210.6 |
[M+NH4]+ | 441.24964 | 210.1 |
[M+K]+ | 462.17898 | 203.8 |
[M+H-H2O]+ | 406.21308 | 191.3 |
[M+HCOO]- | 468.21402 | 211.0 |
[M+CH3COO]- | 482.22967 | 209.9 |
[M+Na-2H]- | 444.19049 | 202.7 |
[M]+ | 423.21527 | 198.8 |
[M]- | 423.21637 | 198.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.