CID 212098
23905-29-5
Structural Information
- Molecular Formula
- C21H27N3O2
- SMILES
- CCCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
- InChI
- InChI=1S/C21H27N3O2/c1-2-3-6-17-24-20(25)18-11-4-5-12-19(18)23(21(24)26)16-10-9-15-22-13-7-8-14-22/h4-5,11-12H,2-3,6-8,13-17H2,1H3
- InChIKey
- DHAOPEQXRJEILI-UHFFFAOYSA-N
- Compound name
- 3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 354.21761 | 184.2 |
[M+Na]+ | 376.19955 | 193.5 |
[M-H]- | 352.20305 | 183.9 |
[M+NH4]+ | 371.24415 | 194.1 |
[M+K]+ | 392.17349 | 184.2 |
[M+H-H2O]+ | 336.20759 | 167.4 |
[M+HCOO]- | 398.20853 | 194.9 |
[M+CH3COO]- | 412.22418 | 218.1 |
[M+Na-2H]- | 374.18500 | 182.6 |
[M]+ | 353.20978 | 179.7 |
[M]- | 353.21088 | 179.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.