CID 3061668
Brn 5604981
Structural Information
- Molecular Formula
- C15H19N3O3
- SMILES
- CCN1CCCN2C1=NC3=C2C=CC(=C3)OC(C)C(=O)O
- InChI
- InChI=1S/C15H19N3O3/c1-3-17-7-4-8-18-13-6-5-11(21-10(2)14(19)20)9-12(13)16-15(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)
- InChIKey
- DJRCMBXYVPFWHL-UHFFFAOYSA-N
- Compound name
- 2-[(1-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-8-yl)oxy]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 290.14992 | 167.1 |
[M+Na]+ | 312.13186 | 175.1 |
[M-H]- | 288.13536 | 167.2 |
[M+NH4]+ | 307.17646 | 181.8 |
[M+K]+ | 328.10580 | 171.4 |
[M+H-H2O]+ | 272.13990 | 158.8 |
[M+HCOO]- | 334.14084 | 181.7 |
[M+CH3COO]- | 348.15649 | 201.1 |
[M+Na-2H]- | 310.11731 | 169.6 |
[M]+ | 289.14209 | 169.1 |
[M]- | 289.14319 | 169.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.